Publications

Acima

LISTA DE PUBLICAÇÕES

Prof. Adalberto Fazzio

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Publicações de 2009 / setembro

1. “Edge Effects in Bilayer Graphene Nanoribbons: Ab Initio Total-Energy Density Functional Theory Calculations”
M.P. Lima, A. Fazzio and A.J.R. da Silva
Phys. Rev. B 79, 153401 (2009)

2. “Effects of Side-Chain and Electron Exchange Correlation on the Band Structure of Perylene Diimide Liquid Crystals: A Density Functional Study”
J.T. Arantes, M.P. Lima, A. Fazzio, H. Xiang, S.H. Wei and G.M. Dalpian
J. of Phys. Chem. B 113, 5376 (2009)

3. “Organic Molecule Assembled Between Carbon Nanotubes: A Highly Efficient Switch Device”
T.B. Martins, A. Fazzio and A.J.R. da Silva
Phys. Rev. B 79, 115413 (2009)

4. “Electronic, Structural, and Transport Properties of Ni-Doped Graphene Nanoribbons”
V.A. Rigo, T.B. Martins, A.J.R. da Silva, A. Fazzio and R.H. Miwa
Phys. Rev. B 79, 075435 (2009)

5. “Barrier-Free Substitutional Doping of Graphene Sheets with Boron Atoms: Ab Initio Calculations”
R.B. Pontes, A. Fazzio and G.M. Dalpian
Phys. Rev. B 79, 033412 (2009)

6. “Theoretical Investigation of Hf and Zr Defects in c-Ge”
W.L. Scopel, A. Fazzio and A.J.R. da Silva
J. of Phys.: Condens. Matter 21, 012206 (2009)

7. “Surface Magnetization in Non-Doped ZnO Nanostructures”
A.L. Schoenhalz, J.T. Arantes, A. Fazzio and G.M. Dalpian
Appl. Phys. Lett. 94, 162503 (2009)

8. “Electronic, Structural, and Transport Properties of Nicotinamide and Ascorbic Acid Interacting with Carbon Nanotubes”
S.B. Fagan, V. Menezes, I. Zanella, R. Mota, A.R. Rocha and A. Fazzio
Materials Research Society Symposium Proceedings 1142, 15 (2009)

Publicações de 2008

1. “ and -Defects at Graphene Nanoribbon Edges: Building Spin Filters”
T.B. Martins, A.J.R. da Silva, R.H. Miwa and A. Fazzio
Nano Letters 8, 2293 (2008)

2. “Quantum Confinement Effects on Mn-Doped InAs Nanocrystals: A First-Principles Study “
J.T. Arantes, G.M. Dalpian and A. Fazzio
Phys. Rev. B 78, 045402 (2008)

3. “Symmetry Controlled Spin Polarized Conductance in Au Nanowires”
R.B. Pontes, E.Z. da Silva, A. Fazzio and A.J.R. da Silva
J. Am. Chem. Soc. 130, 9897 (2008)

4. “Electronic and Magnetic Properties of Ti and Fe on Graphene”
I. Zanella, S.B. Fagan, R. Mota and A. Fazzio
J. of Phys. Chem. C 112, 9163 (2008)

5. “Confinement and Surface Effects in B and P Doping of Silicon Nanowires”
C.R. Leão, A. Fazzio and A.J.R. da Silva
Nano Letters 8, 1866 (2008)

6. “Amorphous HfO2 and Hf1-xSixO via a Melt-and-Quench Scheme using Ab Initio Molecular Dynamics”
W.L. Scopel, A.J.R. da Silva and A. Fazzio
Phys. Rev. B 77, 172101 (2008)

7. “Ab Initio Study of SO2 Molecules Interacting with Pristine and Transition Metal Covered Fullerenes as a Possible Route for Nanofilters”
L.B. da Silva, S.B. Fagan, R. Mota and A. Fazzio
J. Phys. Chem. C 112, 6677 (2008)

8. “Designing Real Nanotube-Based Gas Sensors”
A.R. Rocha, M. Rossi, A. Fazzio and A.J.R. da Silva
Phys. Rev. Lett. 100, 176803 (2008) (EDITOR’S SUGGESTION)

9. “Transport Properties of Single Vacancies in Nanotubes”
A.R. Rocha, J.E. Padilha, A. Fazzio and A.J.R. da Silva
Phys. Rev. B 77, 153406 (2008)

10. “Hydrogen Adsorption on Boron Doped Graphene: An Ab Initio Study”
R.H. Miwa, T.B. Martins and A. Fazzio
Nanotechnology 19, 155708 (2008)

11. “Temperature and Quantum Effects in the Stability of Pure and Doped Gold Nanowires”
E. Hobi Jr., A. Fazzio and A.J.R. da Silva
Phys. Rev. Lett. 100, 056104 (2008)

12. “First-Principles Study of the Adsorption of Atomic and Molecular Hydrogen on BC2N Nanotubes”
J. Rossato, R.J. Baierle, T.M. Schmidt and A. Fazzio
Phys. Rev. B 77, 035129 (2008)

Publicações de 2007

1. Functionalization of Carbon Doped Boron Nitride Nanotubes

T.M. Schmidt, R.J. Baierle and A. Fazzio
Aceito para Publicação na Sol. Stat. Commun. (2007)

2. First Principles Study of Titanium-Coated Carbon Nanotubes as Sensors for Carbon Monoxide Molecules
R. Mota, S.B. Fagan and A. Fazzio
Surface Science 601, 4102 (2007)

3. Theoretical Investigations of Ge Nanowires Grown Along the [110] and [111] Directions
J.T. Arantes and A. Fazzio
Nanotechnology 18, 295706 (2007)

4. Divacancies in Graphene and Carbon Nanotubes
R.G. Amorim, A. Fazzio, A. Antonelli, F.D. Novaes and A.J.R. da Silva
Nano Letters 7, 2459 (2007)

5. Hf Defects in c-Si and their Importance for the HfO2/Si Interface: Density-Functional Calculations
W.L. Scopel, A.J.R. da Silva and A. Fazzio
Phys. Rev. B 75, 193203 (2007)

6. Si Nanowires as Sensors: Choosing the Right Surface
C.R. Leão, A. Fazzio and A.J.R. da Silva
Nano Letters 7, 1172 (2007)

7. Electronic and Transport Properties of Boron-Doped Graphene Nanoribbons
T.B. Martins, R.H. Miwa, A.J.R. da Silva and A. Fazzio
Phys. Rev. Lett. 98, 196803 (2007)

8. Ab Initio Study of Pristine and Si-Doped Capped Carbon Nanotubes Interacting with Nimesulide Molecules
I. Zanella, S.B. Fagan, R. Mota and A. Fazzio
Chem. Phys. Lett. 439, 348 (2007)

9. Adsorption of CO and NO Molecules on Carbon Doped Boron Nitride Nanotubes
R.J. Baierle, T.M. Schmidt and A. Fazzio
Sol. Stat. Commun. 142, 49 (2007)

10. Simple Implementation of Complex Functionals: Scaled Self-Consistency
M.P. Lima, L.S. Pedroza, A.J.R. da Silva, A. Fazzio, D. Vieira, H.J.P. Freire and K. Capelle
J. Chem. Phys. 126, 144107 (2007)

11. EL2-Like Defects in InP Nanowires: An Ab Initio Total Energy Investigation
R.H. Miwa, T.M. Schmidt and A. Fazzio
Phys. Rev. B 75, 165324 (2007)

12. Structural, Electronic, and Magnetic Properties of Mn-Doped Ge Nanowires by Ab Initio Calculations
J.T. Arantes, A.J.R. da Silva and A. Fazzio
Phys. Rev. B 75, 115113 (2007)

13. Short Linear Atomic Chains in Copper Nanowires
E.P.M. Amorim, A.J.R. da Silva, A. Fazzio and E.Z. da Silva
Nanotechnology 18, 145701 (2007)

14. Ab Initio Study of 2,3,7,8-Tetrachlorinated Dibenzo-p-dioxin Adsorption on Single Wall Carbon Nanotubes
S.B. Fagan, E.J.G. Santos, A.G. Souza Filho, J. Mendes Filho and A. Fazzio
Chem. Phys. Lett. 437, 79 (2007)

15. Theoretical Investigation of a Mn-Doped Si/Ge Heterostructure
J.T. Arantes, A.J.R. da Silva, A. Fazzio and A. Antonelli
Phys. Rev. B 75, 075316 (2007)

Publicações de 2006

1. Gold Nanowires and the Effect of Impurities
E.Z. da Silva, F.D. Novaes, A.J.R. da Silva and A. Fazzio
Nanoscale Research Letters 1, 91 (2006)

2. Hydrogen Adsorption on Carbon-Doped Boron Nitride Nanotube
R.J. Baierle, P. Piquini, T.M. Schmidt and A. Fazzio
J. Phys. Chem. B 110, 21184 (2006)

3. Effects of Disorder on the Exchange Coupling in (Ga,Mn)As Diluted Magnetic Semiconductors
A.J.R. da Silva, A. Fazzio, R.R. dos Santos and L.E. Oliveira
Braz. J. Phys. 36, 813 (2006)

4. Density Functional Theory Method for Non-Equilibrium Charge Transport Calculations: TRANSAMPA
F.D. Novaes, A.J.R. da Silva and A. Fazzio
Braz. J. Phys. 36, 799 (2006)

5. Structure and Energetics of Molecular Point Defects in Ice Ih
M. de Koning, A. Antonelli, A.J.R. da Silva and A. Fazzio
Phys. Rev. Lett. 97, 155501 (2006)

6. Adsorption of Benzene-1,4-dithiol on the Au(111) Surface and Its Possible Role in Molecular Conductance
R. B. Pontes, F. D. Novaes, A. Fazzio, and A. J. R. da Silva
J. Am. Chem. Soc. 128, 8996 (2006)

7. First Principles Calculations of As Impurities in the Presence of a 90º Partial Dislocation in Si
T.M. Schmidt, J.T. Arantes and A. Fazzio
Braz. J. Phys. 36, 261 (2006)

8. Electronic and Magnetic Properties of Mn-Doped InP Nanowires from First Principles
T.M. Schmidt, P. Venezuela, J.T. Arantes and A. Fazzio
Phys. Rev. B 73, 235330 (2006)

9. Silicon Adsorption in Defective Carbon Nanotubes: A First Principles Study
L.B. da Silva, S.B. Fagan, R. Mota and A. Fazzio
Nanotechnology 17, 4088 (2006)

10. Orientational Defects in Ice Ih: An Interpretation of Electrical Conductivity Measurements
M. de Koning, A. Antonelli, A.J.R. da Silva and A. Fazzio
Phys. Rev. Lett. 96, 075501 (2006)

11. Phenomenological Band Structure Model of Magnetic Coupling in Semiconductors
G.M. Dalpian, S.-H. Wei, X.G. Gong, A.J.R. da Silva and A. Fazzio
Sol. Stat. Commun. 138, 353 (2006)

12. Titanium Monomers and Wires Adsorbed on Carbon Nanotubes: A First Principles Study
S.B. Fagan, A. Fazzio and R. Mota
Nanotechnology 17, 1154 (2006)

13. Oxygen Clamps in Gold Nanowires
F.D. Novaes, A.J.R. da Silva, E.Z. da Silva and A. Fazzio
Phys. Rev. Lett. 96, 016104 (2006)

14. C59Si on the monohydride Si(100):H-(2x1) surface
I. Zanella, A. Fazzio and A. J. R. da Silva
J. Phys. Chem. B 110, 10849 (2006)

Publicações de 2005

15. Theoretical and Experimental Studies of the Atomic Structure of Oxygen-Rich Amorphous Silicon Oxynitride Films
W.L. Scopel, A.J.R. da Silva, W. Orellana, M.C.A. Fantini and A. Fazzio
Aceito para Publicação no Phys. Rev. B (2005)

16. Stability and Electronic Confinement of Free-Standing InP Nanowires: Ab Initio Calculations
T.M. Schmidt, R.H. Miwa, P. Venezuela and A. Fazzio
Phys. Rev. B 72 (2005)

17. Contaminants in Suspended Gold Chains: An Ab Initio Molecular Dynamics Study
E. Hobi Jr., A.J.R. da Silva, F.D. Novaes, E.Z. da Silva and A. Fazzio
Phys. Rev. Lett. 95, 169601 (2005)

18. Disorder and the Effective Mn-Mn Exchange Interaction in Ga1-xMnxAs Diluted Magnetic Semiconductors
A.J.R. da Silva, A. Fazzio, R.R. dos Santos and L.E. Oliveira
Phys. Rev. B 72, 125208 (2005)

19. Bundling up Carbon Nanotubes through Wigner Defects
A.J.R. da Silva, A. Fazzio and A. Antonelli
Nano Letters 5, 1045 (2005)

20. Substrate-Dependent Electronic Properties of an Armchair Carbon Nanotube Adsorbed on H/Si(001)
R.H. Miwa, A. Fazzio and W. Orellana
Appl. Phys. Lett. 86, 213111 (2005)

21. Electronic and Structural Properties of C59Si on the Monohydride Si(100) Surface
I. Zanella, A. Fazzio and A.J.R. da Silva
Int. J. of Quantum Chemistry 103, 557 (2005)

22. Formation Energy of Native Defects in BN Nanotubes: An Ab Initio Study
P. Piquini, R.J. Baierle, T.M. Schmidt and A. Fazzio
Nanotechnology 16, 827 (2005)

23. Carbon Nanotube Adsorbed on Hydrogenated Si(001) Surfaces
R.H. Miwa, W. Orellana and A. Fazzio
Applied Surface Science 244, 124 (2005)

24. Vacancy Formation Process in Carbon Nanotubes: First-Principles Approach
J. Rossato, R.J. Baierle, A. Fazzio and R. Mota
Nano Letters 5, 197 (2005)

25. Gold Nanowires and the Effect of Impurities
E.Z. da Silva, A.J.R. da Silva and A. Fazzio
Nanoscale Research Letters 1 (2005)
Keynote article (invited)

26. Oxygen-Induced Atomic Desorptions in Oxynitrides: Density Functional Calculations
W. Orellana, A.J.R. da Silva and A. Fazzio
Phys. Rev. B 72, 205316 (2005)

27. Computer Simulations in the Study of Gold Nanowires: The Effect of Impurities
F.D. Novaes, A.J.R. da Silva, A. Fazzio and E.Z. da Silva
Appl. Phys. A 81, 1551 (2005)
Volume especial dedicado a "Metal Nanowires" (artigo convidado)

28. Stability and Electronic Confinement of Free-Standing InP Nanowires: Ab Initio Calculations
T.M. Schmidt, R.H. Miwa, P. Venezuela and A. Fazzio
Phys. Rev. B 72, 193404 (2005)

Publicações de 2003 / 2004

29. Initial Stages of Ge and Si Growth Near Sb Monoatomic Steps on Si(100)
G.M. Dalpian, A.J.R. da Silva and A. Fazzio
Aceito para Publicação no Phys. Rev. B (2004)

30. Stability and Electronic Properties of Carbon Nanotubes Adsorbed on Si(001)
W. Orellana, R.H. Miwa and A. Fazzio
Aceito para Publicação na Surface Science (2004)

31. Adsorption of Mn Atoms on the Si(100) Surface
G.M. Dalpian, A.J.R. da Silva and A. Fazzio
Aceito para Publicação na Surface Science (2004)

32. Effect of Impurities on the Breaking of Au Nanowires
F.D. Novaes, E.Z. da Silva, A.J.R. da Silva and A. Fazzio
Aceito para Publicação na Surface Science (2004)

33. Electronic and Structural Properties of C59Si on the Monohydride Si(100) Surface
I. Zanella, A. Fazzio and A.J.R. da Silva
Aceito para Publicação no Int. J. of Quantum Chemistry (2004)

34. Vacancy-Like Defects in a-Si: A First Principles Study
C.R. Miranda, A. Antonelli, A.J.R. da Silva and A. Fazzio
J. of Non-Cryst. Solids 338-340, 400 (2004)

35. On the Reversibility of Hydrogen Effects on the Properties of Amorphous Silicon Carbide
C.R.S. da Silva, J.F. Justo and A. Fazzio
J. of Non-Cryst. Solids 338-340, 299 (2004)

36. An Ab Initio Study of Manganese Atoms and Wires Interacting with Carbon Nanotubes
S.B. Fagan, R. Mota, A.J.R. da Silva and A. Fazzio
J. of Phys. Condensed Matter 16, 3647 (2004)

37. Substitutional Si Doping in Deformed Carbon Nanotubes
S.B. Fagan, R. Mota, A.J.R. da Silva and A. Fazzio
Nano Letters 4, 975 (2004)

38. Breaking of Gold Nanowires
E.Z. da Silva, A.J.R. da Silva and A. Fazzio
Computational Materials Science 30, 73 (2004)

39. Comparative Study of Defect Energetics in HfO2 and SiO2
W.L. Scopel, A.J.R. da Silva, W. Orellana and A. Fazzio
Appl. Phys. Lett. 84, 1492 (2004)

40. Carbon in SixGe1-x: An Ab Initio Investigation
P. Venezuela, R.H. Miwa and A. Fazzio
Phys. Rev. B 69, 115209 (2004)

41. Theoretical Study of the Formation, Evolution, and Breaking of Gold Nanowires
E.Z. da Silva, F.D. Novaes, A.J.R. da Silva and A. Fazzio
Phys. Rev. B 69, 115411 (2004)

42. Fe and Mn Atoms Interacting with Carbon Nanotubes
S.B. Fagan, R. Mota, A.J.R. da Silva and A. Fazzio
Physica B 340-342, 982 (2003)

43. Electronic Structure and Origin of Ferromagnetism in Ga1-xMnxAs Semiconductors
A.J.R. da Silva, A. Fazzio, R.R. dos Santos and L.E. Oliveira
Physica B 340-342, 874 (2003)

44. Energetics and Structural Properties of Adsorbed Atoms and Molecules on Silicon-Doped Carbon Nanotubes
S.B. Fagan, R. Mota, R.J. Baierle, A.J.R. da Silva and A. Fazzio
Materials Characterization 50, 183 (2003)

45. Theoretical Investigation of a Possible MnxSi1-x Ferromagnetic Semiconductor
G.M. Dalpian, A.J.R. da Silva and A. Fazzio
Phys. Rev. B 68, 113310 (2003)

45. Theoretical and Experimental Studies of the Atomic Structure of Oxygen-Rich Amorphous Silicon Oxynitride Films
W.L. Scopel, A.J.R. da Silva, W. Orellana, R.J. Prado, M.C.A. Fantini, A. Fazzio and I. Pereyra
Phys. Rev. B 68, 155332 (2003)

46. First-principles calculations of carbon nanotubes adsorbed on Si(001)
W. Orellana, R.H. Miwa and A. Fazzio
Phys. Rev. Lett. 91, 166802 (2003)

Publicações Anteriores

44. “Electronic Structure and Origin of Ferromagnetism in Ga1-xMnxAs Semiconductors”
A.J.R. da Silva, A. Fazzio, R.R. dos Santos and L.E. Oliveira
Aceito para Publicação no Physica B (2003)

45. “Fe and Mn Atoms Interacting with Carbon Nanotubes”
S.B. Fagan, R. Mota, A.J.R. da Silva and A. Fazzio
Aceito para Publicação no Physica B (2003)

46. “Breaking of Gold Nanowires”
E.Z. da Silva, A.J.R. da Silva and A. Fazzio
Aceito para Publicação no Computational Materials Science (2003)

47. “Stability and Electronic Properties of Carbon Nanotubes Adsorbed on Si(001)”
W. Orellana, R.H. Miwa and A. Fazzio
Aceito para Publicação na Surface Science (2003)

48. “Energetics and Structural Properties of Adsorbed Atoms and Molecules on Silicon-Doped Carbon Nanotubes”
S.B. Fagan, R. Mota, A.J.R. da Silva and A. Fazzio
Aceito para Publicação no Materials Characterization (2003)

49. “Ab Initio Study of an Iron Atom Interacting with Single-Wall Carbon Nanotubes”
S.B. Fagan, R. Mota, A.J.R. da Silva and A. Fazzio
Phys. Rev. B 67, 205414 (2003)

50. “Theoretical Investigation of Extended Defects and Their Interactions with Vacancies in SixGe1-x”
R.H. Miwa, P. Venezuela and A. Fazzio
Phys. Rev. B 67, 205317 (2003)

51. “Electronic and Magnetic Properties of Iron Chains on Carbon Nanotubes”
S.B. Fagan, R. Mota, A.J.R. da Silva and A. Fazzio
Microelectronics Journal 34, 481 (2003)

52. “Theoretical Study of Native Defects in BN Nanotubes”
T.M. Schmidt, R.J. Baierle, P. Piquini and A. Fazzio
Phys. Rev. B 67, 113407 (2003)

53. “Functionalization of Carbon Nanotubes Through the Chemical Binding of Atoms and Molecules”
S.B. Fagan, A.J.R. da Silva, R. Mota, R.J. Baierle and A. Fazzio
Phys. Rev. B 67, 033405 (2003)

54. "Effect of Impurities in the Large Au-Au Distances in Gold Nanowires"
F.D. Novaes, A.J.R. da Silva, E.Z. da Silva and A. Fazzio
Phys. Rev. Lett. 90, 036101 (2003)

55. "Oxidation at the Si/SiO₂ Interface: Influence of the Spin Degree of Freedom"

W. Orellana, A.J.R. da Silva and A. Fazzio

Phys. Rev. Lett. 90, 016103 (2003)

56. "Ab Initio Study of an Organic Molecule Interacting with a Silicon-Doped Carbon Nanotube"

S.B. Fagan, R. Mota, R.J. Baierle, A.J.R. da Silva and A. Fazzio

Diamond & Related Materials 12, 861 (2003)

57. "Ab Initio Calculations of Vacancies in Si_xGe_1-x"

G.M. Dalpian, P. Venezuela, A.J.R. da Silva and A. Fazzio

Appl. Phys. Lett. 81, 3383 (2002)

58. "Arsenic Segregation, Pairing and Mobility on the Partial Dislocation in Silicon"

J.F. Justo, A. Antonelli and A. Fazzio

J. Phys. B 14, 12761 (2002)

59. "Defect Centers in a-SiN_x: Electronic and Structural Properties"

F de Brito Mota, J.F. Justo and A. Fazzio

Braz. J. of Physics 32, 436 (2002)

60. "Interaction of As Impurities with 30º Partial Dislocations in Si: An Ab Initio Investigation"

A Antonelli, J.F. Justo and A. Fazzio

Journal of Applied Physics 91, 5892 (2002)

61. "Vacancy-Mediated Diffusion in Disordered Alloys: Ge Self-Diffusion in Si_1-xGe_x"

P. Venezuela, G.M. Dalpian, Antônio J.R. da Silva and A. Fazzio

Phys. Rev. B 65, 193306 (2002)

62. "Structural Order and Clustering in Annealed a -SiC and a -SiC:H"

C.R.S. da Silva, J.F. Justo and A. Fazzio

Phys. Rev. B 65, 104108 (2002)

63. "First-Principles Investigation of a-SiN_x:H"

J.F. Justo, F. de Brito Mota and A Fazzio

Phys. Rev. B 65, 073202 (2002)

64. "Influence of Spin State on Dynamical Processes of O₂ in a -Quartz"

W. Orellana, A.J.R. da Silva and A. Fazzio

Materials Research Society, p. 32 (2002)

65. "Structural Order and Clustering in Annealed a -SiC and a -SiC:H"

C.R.S. da Silva, J.F. Justo and A. Fazzio

Materials Research Society, p. 30 (2002)

66. "Ab Initio Study of Si Doped Carbon Nanotubes: Electronic and Structural Properties"

A. Fazzio, R.J. Baierle, S.B. Fagan, R. Mota and A.J.R. da Silva

MRS Proceedings 675, W8.4.1 (2001)

67. "Electronic and Structural Properties of Carbon Nanotubes Molecular Junction"

M. Machado, P. Piquini, R. Mota and A. Fazzio

MRS Proceedings 633, A14.33.1 (2001)

68. "Energetics and Structural Investigation of Double-Walled Carbon and Silicon Nanotubes"

S.B. Fagan, D.S. Sartor, R. Mota, R.J. Baierle, A.J.R. da Silva and A. Fazzio

MRS Proceedings 633, A13.41.1 (2001)

69. "Theoretical Investigation of the Pressure Induced Cubic-Diamond-b -Sn Phase Transition in the Si_0.5Ge_0.5"

C.R.S. da Silva, P. Venezuela, A.J.R. da Silva and A. Fazzio

Solid State Communications 120, 369 (2001)

70. "How do Gold Nanowires Break?"

E.Z. da Silva, A.J.R. da Silva and A. Fazzio

Physical Review Letters 87, 256102 (2001)

71. "Ab Initio Determination of the Atomistic Structure of Si_xGe_1-x Alloy"

P. Venezuela, G.M. Dalpian, Antônio J.R. da Silva and A. Fazzio

Phys. Rev. B 64, 193202 (2001)

72. "Ab Initio Studies of the Si_1-xGe_x Alloy and its Intrinsic Defects"

P. Venezuela, A.J.R. da Silva, C. da Silva, G.M. Dalpian and A. Fazzio

Computational Materials Science 22, 62 (2001)

73. "Influence of Surface Degrees of Freedom on the Adsorption of Ge Ad-Atoms on Si(100)"

G.M. Dalpian, A. Fazzio and Antônio J.R. da Silva

Computational Materials Science 22, 19 (2001)

74. "Theoretical STM Images of Ge Monomers and Trimers on Si(100)"

G.M. Dalpian, A. Fazzio and Antônio J.R. da Silva

Surf. Sci. 482-485, 507 (2001)

75. "O₂ Diffusion in SiO₂: Triplet versus Singlet"

W. Orellana, Antônio J.R. da Silva and A. Fazzio

Phys. Rev. Lett. 87, 155901 (2001)

76. "Dislocation Core Properties in Semiconductors"

J.F. Justo, A. Antonelli and A. Fazzio

Solid State Communications 118, 651 (2001)

77. "Electronic and Structural Properties of Silicon Doped Carbon Nanotubes"

R.J. Baierle, S.B. Fagan, R. Mota, A.J.R. da Silva and A. Fazzio

Phys. Rev. B 64, 085413 (2001)

78. "Two-Atom Structures of Ge on Si(100): Dimers versus Adatom Pairs"

Antônio J.R. da Silva, G.M. Dalpian, A. Janotti and A. Fazzio

Phys. Rev. Lett. 87, 036104 (2001)

79. "Formation and Structural Properties of the Amorphous-Crystal Interface in a Nanocrystalline System"

Cesar R.S. da Silva and A. Fazzio

Phys. Rev. B 64, 075301 (2001)

80. "Ab Initio Calculations on the Compensation Mechanisms in InP"

T.M. Schmidt, R.H. Miwa, A. Fazzio and R. Mota

Solid State Communications 117, 353 (2001)

81. "Segrocation Cores in Semiconductors and their Role on Dislocation Mobility"

J.F. Justo, A. Antonelli and A. Fazzio

Physica B 302-303, 398 (2001)

82. "Native Defects in Germanium"

Antônio J.R. da Silva, R.J. Baierle, R. Mota and A. Fazzio

Physica B 302-303, 364 (2001)

83. "Adsorption of Monomers on Semiconductors and the Importance of the Surface Degrees of Freedom"

G.M. Dalpian, A. Fazzio and Antônio J.R. da Silva

Phys. Rev. B 63, 205303 (2001)

84. "Stability Investigation and Thermal Behavior of a Hypothetical Silicon Nanotube"

S.B. Fagan, R. Mota, R.J. Baierle, G. Paiva, A.J.R. da Silva and A. Fazzio

Journal of Molecular Structure (Theochem) 539, 101 (2001)

85. "Stacking Fault Effects in Pure and N-Type Doped GaAs"

T.M. Schmidt, J.F. Justo and A. Fazzio

Applied Physics Letters 78, 907 (2001)

86. "The Effect of a Stacking Fault on the Electronic Properties of Dopants in Gallium Arsenide"

T.M. Schmidt, J.F. Justo and A. Fazzio

J. Phys.: Condens. Matter 12, 10235 (2000)

87. "Dislocation Core Reconstruction in Zinc-Blende Semiconductors"

J.F. Justo, A. Fazzio and A. Antonelli

Journal of Physics - Condensed Matter 12, 10039 (2000)

88. "Self-Interstitial Defect in Germanium"

Antônio J.R. da Silva, A Janotti, A. Fazzio, R.J. Baierle and R. Mota

Phys. Rev. B 62, 9903 (2000)

89. "Ab Initio Calculations for a Hypothetical Material: Silicon Nanotubes"

Solange B. Fagan, R.J. Baierle, R. Mota, Antônio J.R. da Silva and A. Fazzio

Phys. Rev. B 61, 9994 (2000)

90. "Microscopic Picture of the Single Vacancy in Germanium"

A. Fazzio, A. Janotti, Antonio J.R. da Silva and R. Mota

Phys. Rev. B 61, R2401 (2000)

91. "[P_In]⁽ⁿ⁾ Antisite Clustering in InP"

T.M. Schmidt, R.H. Miwa, A. Fazzio and R. Mota

Phys. Rev. B 60, 16475 (1999)

92. "Intrinsic Doping in InP: Ab Initio Calculations of P_In Antisites"

T.M. Schmidt, R.H. Miwa, A. Fazzio and R. Mota

Physica B 273/274, 831 (1999)

93. "Effects of Extended Defects on the Properties of Intrinsic and Extrinsic Point Defects in Silicon"

J.F. Justo, A. Antonelli, T.M. Schmidt and A. Fazzio

Physica B 273/274, 473 (1999)

94. "Initial Stages of Ge Growth on Si(100): Ad-Atoms, Ad-Dimers, and Ad-Trimers"

G.M. Dalpian, A. Janotti, A. Fazzio and Antonio J.R. da Silva

Physica B 273/274, 589 (1999)

95. "Electronic and Structural Properties of Vacancy and Self-Interstitial Defects in Germanium"

A. Janotti, R. Baierle, Antonio J.R. da Silva, R. Mota and A. Fazzio

Physica B 273/274, 575 (1999)

96. "Point Defect Interactions with Extended Defects in Silicon"

A. Antonelli, J.F. Justo and A. Fazzio

Phys. Rev. B 60, 4711 (1999)

97. "Hydrogen Role on the Properties of Amorphous Silicon Nitride"

F. de Brito Mota, J.F. Justo and A. Fazzio

Journal of Applied Physics 86, 1843 (1999)

98. "Concerted-Exchange Mechanism for Antistructure Pair Defects in GaAs"

A. Janotti, A. Fazzio, R. Mota and P. Piquini

Sol. State Commun. 110, 457 (1999)

99. "Hydrogenated Amorphous Silicon Nitride: Structural and Electronic Properties"

J.F. Justo, F. de Brito Mota and A. Fazzio

Mat. Res. Soc. Symp. Proc. 538, 555 (1999)

100. "Point Defect Interactions with Extended Defects in Silicon"

J.F. Justo, A. Antonelli and A. Fazzio

Mat. Res. Soc. Symp. Proc. 538, 419 (1999)

101. "Structural and Electronic Properties of Silicon Nitride Materials"

F. de Brito Mota, J.F. Justo and A. Fazzio

Int. J. of Quantum Chemistry 70, 973 (1998)

102."Optical Transitions in Ruby across the Corundum to Rh₂O₃(II) Phase Transformation"

W. Duan, G. Paiva, R.M. Wentzcovitch and A. Fazzio

Phys. Rev. Lett 81, 3267 (1998)

103. "Structural Properties of Amorphous Silicon Nitride"

F. de Brito Mota, J.F. Justo and A. Fazzio

Phys. Rev. B 58, 8323 (1998)

104. "Electronic and Structural Trends in Small GaAs Clusters"

P. Piquini, S. Canuto and A Fazzio

NanoStruct. Mater. 10, 635 (1998)

105. "Theoretical Study of Defects Complexes Related with Antisites in GaAs"

A. Fazzio, A. Janotti, R. Mota and P. Piquini

Radiation Effects and Defects in Solids 146, 65 (1998)

106. "Ab Initio Study of Group V Elements in Amorphous Silicon"

A. Fazzio and P. Venezuela

Journal of Non-Crystalline Solids 227-230, 372 (1998)

107. "N-Vacancy Defects in c-BN and w-BN"

R. Mota, P. Piquini, V. Torres and A. Fazzio

Mater. Sci. Forum 258-263, 1275(1997)

108. "Theoretical Study of Antistructure Defects in GaAs"

A. Janotti, A. Fazzio, P. Piquini and R. Mota

Mater. Sci. Forum 258-263, 975 (1997)

109. "Defect Complexes in GaAs: First-Principles Calculations"

A. Janotti, A. Fazzio, P. Piquini and R. Mota

Phys. Rev. B 56, 13073 (1997)

110. "Electronic and Structural Properties of Complex-Defects in GaAs"

A. Janotti, A. Fazzio, P. Piquini and R. Mota

Braz. J. of Physics 27A, 110 (1997)

111. "Ab Initio Study of Group V Elements in Amorphous Silicon and Germanium"

P.P.M. Venezuela and A. Fazzio

Proceed. 7^th Int. Conf. on Shallow-Level Centers in Semiconductors, ed. by C.A.J. Ammerlaan and B. Pajot (World Scientific) pág. 471 (1997)

112. "Theoretical Studies of Native Defects in Cubic Boron Nitride"

P. Piquini, R. Mota, T. Schmidt and A. Fazzio

Phys. Rev. B 56, 3556 (1997)

113. "Theoretical Investigation of 3dⁿ and 4dⁿ Impurities in GaN"

A. Fazzio

Proceed. 23^rd Int. Conf. Phys. Semic., ed. by M. Scheffler and R. Zimmerman (World Scientific) pág. 2865 (1996)

114. "Ab Initio Study of N Impurity in Amorphous Germanium"

P.P.M. Venezuela and A. Fazzio

Phys. Rev. Lett. 77, 546 (1996)

115. "Impurities States in the Narrow Band-Gap Semiconductor n-Type InSb"

A. Ferreira da Silva, N. Souza Dantas, F. de Brito Mota, S. Canuto and A. Fazzio

Sol. State Comm. 99, 295 (1996)

116"Metastability in Periodically d -doped GaAs"

T. M. Schmidt and A. Fazzio

Brazilian Journal of Physics 26, 392 (1996)

117. "The Interaction of Atoms With GaAs [100] Surface Using Local Softness Model"

P. Piquini, A. Dal Pino Jr. and A. Fazzio

Brazilian Journal of Physics 26, 277 (1996)

118. "Germanium Negative -U Center in GaAs"

T. M. Schmidt, A. Fazzio and M. J. Caldas

Phys. Rev. B 53, 1315 (1996)

119. "Metastability and Electronic Structure of Periodically n-type and p-type d -doped Layer in GaAs"

A. Fazzio and T. Schmidt

Mat. Sci. Forum 196-201, 421-424 (1995)

120. "Trends in the Metastability of DX-Centers"

T. M. Schmidt, M. J. Caldas and A. Fazzio

Mat. Sci. Forum 196-201, 273 (1995)

121. "Electronic Structure of Periodically Si-d Doped GaAs"

A. Fazzio and T. M. Schmidt

Int. J. Quantum Chem. 24, 203 (1995)

122. "Metal-Insulator Transition in Fullerites: K3C60 versus Na3C60"

R. Mota, S. Canuto and A. Fazzio

Int. J. Quantum Chem. 29, 217 (1995)

123. "Carbon Doping of GaAs: Compensation Effects"

T. M. Schmidt, P.P.M. Venezuela, M. J. Caldas and A. Fazzio

Appl. Phys. Lett. 66, 2715 (1995)

124. "Ab Initio Calculation of Electronic Properties of Periodically Si-d Doped GaAs"

A. Fazzio and T.M. Schmidt

Phys. Rev. B 51, 7898 (1995)

125. "Cluster Calculation of the Electronic Structure of K3 C60"

Kaline Coutinho, S. Canuto, R. Mota and A. Fazzio

Int. J. of Mod. Phys. B 9, 95 (1995)

126. "Electronic Structure and Absorption Spectra of Carbon Nanotubes"

A. Fazzio, G.A.R. Lima, J.A. Kintop and S. Canuto

22nd International Conference on the Physics of Semiconductors, ed. by D.J. Lockwood, World Scientific, vol. 3, p. 2073 (1995)

127. "Ab Initio Self-Consistent-Field Studies of the Structure, Energetics and Bonding of Small Gallium Arsenide Clusters"

P. Piquini, A. Fazzio and S. Canuto

Z. Phys. D 33, 125 (1995)

128. "Configurational and Electronic Properties of Amorphous Semiconductors"

P.P.M. Venezuela, S. Canuto and A. Fazzio

Brazilian Journal of Physics 24, 942 (1994)

129. "Structural and Electronic Studies of Ga3As3, Ga4As3 and Ga3As4"

P. Piquini, S. Canuto and A. Fazzio

Int. J. Quant. Chem. 28, 571 (1994)

130. "Theoretical Calculations of Antisite and Antisite-Like Defects in GaP"

A. Fazzio, P.P.M. Venezuela and T.M. Schmidt

Material Science Forum 143, 991 (1994)

131. "Studies of the Local Reactivity of Surfaces Using Chemical Based Principles"

P. Piquini, A. Fazzio and A. Dal Pino Jr.

Surface Science 313, 41 (1994)

132. "Theoretical Investigation of the Electronic Structure and Absorption Spectra of Carbon Cluster Nanotubes"

G.A.R. Lima, J.A. Kintop, A. Fazzio and S. Canuto

Nanostructured Materials 4, 11 (1994)

133. "Role Played by N and N-N Impurities in Type-IV Semiconductors"

C. Cunha, S. Canuto and A. Fazzio

Phys. Rev. B 48, 17806 (1993)

134. "The Effect of 3dn Impurities in the Yba2 Cu3 O7-d Superconductor"

G.A.R. Lima, V. Torres and A. Fazzio

Modern Phys. Lett. B 7, 1449 (1993)

135. "Electronic States Induced by a Ga Vacancy in the GaAs1-x Px Alloy"

L.M.R. Scolfaro, R. Pintanel, A. Fazzio and J.R. Leite

Int. Journal of Quant. Chemistry 27, 217(1993)

136. "Electronic and Structural Properties of GeGa Impurity in GaAs"

21st Int. Conf. Phys. of Semic., Beijing, China (1992)

Proceed. A. Fazzio, T. Schmidt and M. J. Caldas

137. "The Spin-Polaron Pairing and the X-Dependence of the Tc in (La1-x Srx )2 CuO4"

R. Mota, A. Fazzio and G.A.R. Lima.

Modern. Phys. Lett. B 6, 1131 (1992)

138. "Electronic and Structural Properties of N and N2 in type-IV Semiconductors"

A. Fazzio and C.R. Cunha

Int. Journal Quantum Chem. 26, 667 (1992)

139. "Ab-Initio Cluster Calculation of Hyperfine Interactions and Total-Energy Surfaces of N in Diamond, Silicon and Germanium"

A. Fazzio, C.R. Cunha and S. Canuto

Mater. Science Forum 83, 463 (1992)

140. "Many-Electron on Structural Properties of sp Impurities in Semiconductors"

T.M. Schmidt and A. Fazzio

Sol. Stat. Comm. 82, 83 (1992)

141. "Absortion of Infrared Radiation by donor-pair and Donor-Triad margin-bottom: 0">

142. "Defect-Molecule Model Revisited: Structural Properties of sp Impurities in Semiconductors"

T.M. Schmidt and A. Fazzio

Current Research on Semiconductor Physics (1991) World, pág. 540

Scientific ed. by J.R. Leite, Alaor Chaves and A. Fazzio

143. "Absortion of Infrared Radiation and Dielectric Function by Donor-Triad Molecules"

S. Canuto, A. Ferreira and A. Fazzio

Convidado e aceito para publicação - Festschrift in honor of Rogério Cerqueira Leite's 60th birthday: July 14th, 1991, pág. 255.

World Scientific (1991) ed. by - M.Balkanski, John M. Worlock and C.E.T. Gonçalves da Silva

144. "Theoretical Investigation of the Optical Spectra of Superconducting YBa2 Cu3O7 "

G.A.R. Lima, A. Fazzio and R. Mota

Sol. Stat. Comm. 78, 91 (1991)

145. "Investigation of the Many-Particle Spectrum of Superconductor Yba2 Cu3 O7 "

G.A.R. Lima, R. Mota and A. Fazzio

Bulletin of Material Sciences 14, 989 (1991)

146. "Anion Antisite-Like Defects in III-V Compound"

M.J. Caldas, J. Dabrowski, A. Fazzio and M.Scheffler

Phys. Rev. Lett. 65, 2046 (1990)

147. "Eletronic Structure of Native Defects in III-V Compound"

M.J. Caldas, J. Dabrowiski, A. Fazzio and M. Scheffler

20^th Internat. Conf. on the Physics of Semiconductors – Thessaloniki, Grécia, página 469 (1990). Ed. E. M. Anastassakis e J.D. Joannopoulos - World Scientific

148. "Dynamic Spin Susceptibility in the Two-Band Model in High-Tc Superconductors"

R. Mota, G.A.R. Lima and A. Fazzio

Progress in High Temperature Physics 25, 696 (1990)

149. "Anion-Antisite Defects in GaAs: As and Sb"

M.J. Caldas, A. Fazzio, J. Dabrowski and M. Scheffler

Int. J. Quant. Chem. S24, 563 (1990)

150. "Many-Electron Treatment for Chalcogem Complex in Silicon"

A.Fazzio, A.Antonelli, H.F.de Paula Jr. and S. Canuto

Semicond. Sci. Technol. 5, 196 (1990)

151. "Isothermal Annealing Kinetics of Irradiated Pyrene by Electron Paramagnetic Ressonance"

C.S.M. Partiti, W.M. Pontuschka, A.Fazzio and A. Piccini

Radiation Research 122, 126(1990)

152. "Transition Metal Impurities in Semiconductors"

A. Fazzio

Electronic Structure of Atoms, Molecules and Solids. ed. by J.D'Albuquerque e Castro, F.J. Paixão e S. Canuto (World Scientific - 1990)

153. "Native Defects and Transition Metal Impurities at Interstitial Sites in GaAs"

L. M.R. Scolfaro and A. Fazzio

Int. J. Quantum Chemistry S23, 677 (1989)

154. "Metal-Semiconductor Transition in Cerium Hydrides"

G.A.R. Lima, A. Fazzio and R. Mota

Int. J. Quantum Chemistry S23, 709 (1989)

155. "The Cr2+ Luminescence in GaAs as a Function of Hydrostatic Pressure"

G.A.R.Lima, R.Mota, M. Sardela and A.Fazzio

Sol.Stat.Comm. 69, 461 (1989)

156. "Correlation Effects in Native Defect in GaAs"

M.J.Caldas and A.Fazzio

Materials Science Forum 38-41, 119 (1989)

114. "Impurities in Galium Arsenide and Phosphide: the 4d and 5d series"

N. Makiuchi, T.C. Macedo, M.J. Caldas and A. Fazzio

Defects and Diffusion 62-63, 145 (1989)

157. "The Role Played by Interstitial 3d Transition-Metal Atoms in GaAs"

L.M.R.Scolfaro and A.Fazzio

Current Topics on Semiconductor Physics - Edited by O.Hipólito, G.E.Marques and A.Fazzio (World Scientific - 1988)

158. "Study of 4d and 5d Impurities in GaAs"

N.Makiuchi, T.C.Macedo, M.J.Caldas and A.Fazzio

Current Topics on Semic. Phys. Ed. by O.Hipólito, G.E.Marques and A.Fazzio (World Scientific - 1988)

159. "Charge State Stability of Transition Metals in Semiconductors: "Negative U"

R.Mota and A.Fazzio

Current Topics on Semiconductor Physics - Edited by O.Hipólito, G.E.Marques and A.Fazzio (World Scientific - 1988)

160. "Correlation Effects and Structural Stability in Si: 0, S and N-"

A.Antonelli, O.A.Valle do Amaral, S.Canuto and A.Fazzio

Current Topics on Semiconductor Physics - Edited by O.Hipólito, G.E.Marques and A.Fazzio (World Scientific - 1988)

161. "Electronic Structure of 3dn Interstitial Impurities in GaAs: Tetrahedral and Hexagonal Sites"

L.M.R.Scolfaro and A.Fazzio

19th Int. Conf. on Phys. of Semic. - Varsóvia (1988)

162. "Acceptor and Donor Levels of 3d Impurities at Interstitial Sites in GaAs"

L.M.R.Scolfaro and A.Fazzio

Braz. J. Physics 18, 174 (1988)

163"Charge Stabilization of Cr at Interstitial Sites in GaAs"

L.M.R. Scolfaro, A. Fazzio and R. Mota

Sol. Stat. Comm. 66, 1031 (1988)

164. "Intra-d Excitations: Comparison between Approaches for Impurities in Semiconductors"

N.Makiuchi, A.Fazzio and S.Canuto

Phys.Rev. B 37, 4770 (1988)

165. "On the Possibility of Negative-U System for Transition Metal Impurities in Semiconductors"

A.Fazzio and R.Mota

Int. J.Quant. Chem. S21, 73 (1987)

166. "Effect of Pressure on intra-d Transition"

M.J. Caldas, M.R. Sardela Jr. and A. Fazzio

Proceeding of Int. Conf. on Defects in Insulating Crystals-Parma, 1988

167. "Progress in the Study of Transition Metal Impurities in III-V and II-VI Semiconductors"

A.Fazzio

Int. J.Quant. Chem. S21, 65 (1987)

168. "Theory of Interstitial Transition Atom in GaAs"

L.M.R.Scolfaro and A.Fazzio

Phys. Rev. B 36, 7542 (1987)

169. "Analysis of Pseudo-Jahn-Teller Instability: 0, S and N- in Silicon"

O.A.Valle do Amaral, A.Antonelli and A.Fazzio

Phys. Rev. B 35, 6450 (1987)

170. "On the Evidence for the Effect of Local Symmetry on the Photoionization Spectrum of Fe2+ in InP"

P. Motisuke, M.J. Caldas, F. Iikawa, A. Fazzio and J.R. Pereira Neto

Mat. Sci. Forum 10-12, 687 (1986)

171. "Excitation and Ionization of Mo and W in GaAs"

N.Makiuchi, A.Fazzio and M.J.Caldas

Phys. Rev. B 33, 2690 (1986)

172. "Theoretical Investigation of the Electrical and Optical Activity of Vanadium in GaAs"

M.J. Caldas, S.K.Figueiredo and A. Fazzio

Phys. Rev. B 33, 7102 (1986)

173. "Many-Electron Treatment of the Off-Center Substitutional O in Si"

S. Canuto and A.Fazzio

Phys. Rev. B (Rap. Comm.) 33, 4432 (1986)

174. "Theoretical Model of the Au-Fe Complex in Silicon"

L.V.C.Assali, J.R.Leite and A.Fazzio

Phys. Rev. B 32, 8085 (1985)

175. "Electronic Structure of Copper, Silver and Gold Impurities in Silicon"

A.Fazzio, M.J.Caldas and A.Zunger

Phys. Rev. B 32, 934 (1985)

176. "Defect-Molecule Parameters for the Divacancy in Silicon"

V.M.S.Gomes, L.V.C.Assali, J.R.Leite, A.Fazzio and M.J.Caldas

Solid State Commun. 53, 841 (1985)

177. "Spectral Distribution of Photoionization Cross Section of Fe2+ in InP"

F. Iikawa, P. Motisuke, M.J. Caldas and A. Fazzio

Current Research on Semiconductor Phys. I, 299 (1985)

Edited by J.R.Leite e C.E.T. Gonçalves da Silva

178. "Group IB Impurities in Silicon"

M.J.Caldas, A.Fazzio and A.Zunger

Current Research on Semiconductor Phys. I, 267 (1985)

Edited by J.R.Leite e C.E.T. Gonçalves da Silva

179. "Transition-Metal Impurities in III-V and II-VI Semiconductors"

A. Fazzio

Current Research on Semiconductor Phys. I, 116 (1985)

Edited by J.R.Leite, C.E.T. Gonçalves da Silva

180. "Chemical Trends and Universalities in the Spectra of Transition Metal Impurities in Semiconductors"

M.J.Caldas, A.Fazzio and Alex Zunger

J.Electron. Materials 14a, 1035 (1985)

181. "A. Universal Trend in the Binding Energies of Deep Impurities in Semiconductors"

M.J. Caldas, A.Fazzio and Alex Zunger

Appl. Phys. Lett. 45, 671 (1984)

182. "Many-Electron Multiplet Effects in the Spectra of 3d Impurities in Heteropolar Semiconductors"

A.Fazzio, M.J.Caldas and Alex Zunger

Phys. Rev. B 30, 3430 (1984)

182. "Many-Electron Multiplet Effects in the Optical Spectra of Transition Metal Monoxides"

A.Fazzio and Alex Zunger

Solid State Comm. 52, 265 (1984)

183. "Separation of One- and Many-Electron Effects in the Excitation Spectra of 3d Impurities in Semiconductors"

A. Fazzio, M.J. Caldas and Alex Zunger

Phys. Rev. B (Rap. Comm.) 29, 5999 (1984)

184. "Electronic Structure Calculations of V2 + 02 Complex in Silicon"

V.M.S.Gomes, L.V.C. Assali, J.R.Leite, M.J.Caldas and A.Fazzio

Sol. State Commun. 49, 537 (1984)

185. "Multiplet Structure of GaAs: Mn, Fe"

A.Fazzio and A.Dal Pino Jr.

Braz. J. Physics (special issue), 436 (1983)

186. "VGa and Cu in GaP Through the MS-a with Clusters of 29 Atoms"

N.Makiuchi, A. Fazzio and J.R.Leite

Braz. J. Physics (special issue), 434 (1983)

187. "Jahn Teller Distortions in GaP: O-"

N.Makiuchi, A.Fazzio and J.R.Leite

Braz. J. Physics (special issue), 433 (1983)

188. "Electronic Structure of the Si:02 Complex"

V.M.S. Gomes, M.J.Caldas, L.V.C.Assali, J.R.Leite and A.Fazzio

Braz. J. Physics (special issue), 434 (1983)

189. "A New Model for the Si-A Center"

J.R. Leite, A.Fazzio and M.J.Caldas

Lecture Notes in Physics Springer-Verlag 175, 102 (1983)

190. "Electronic Structure of a Single Neutral Ideal Phosphorus Vacancy in GaP"

N. Makiuchi, J.R.Leite and A.Fazzio

J.Phys. C 17, 3423 (1984)

191. "Interaction Between Dangling Bonds in Vacancy-Defects in Silicon"

M.J.Caldas and A.Fazzio

Revista Bras. Física 13, 90 (1983)

192. "Electronic Structure of Oxygen in Silicon"

M.J.Caldas, J.R. Leite and A.Fazzio

Physica B + C 116, 106 (1983)

193. "A Molecular Cluster Study of Complex Defect in Si: The Divacancy and the E Center"

A.Fazzio, M.J. Caldas and J.R. Leite

Physica B + C 116, 90 (1983)

194"Electronic Structure of GaP: O Via the MS-Xa Method"

N.Makiuchi and A.Fazzio

J.Phys.Chem. Sol. 44, 349 (1983)

195. "Electronic Structure Calculation of Mn-Doped GaAs"

A.Dal Pino Jr., A. Fazzio and J.R.Leite

Sol. State Commun. 44, 369 (1982)

198. "MS-Xa Treatment for Negative Defects in GaSb"

L.M.Brescansin and A.Fazzio

Int.J.Quant.Chem. S15, 457 (1981)

199. "Electronic Structure of Neutral and Negatively Charge Gallium Vacancies in GaP"

A.Fazzio, L.M.Brescansin and J.R.Leite

J.Phys. C 15, L1 (1982)

200. "Multiple-Scattering Xa Molecular Cluster Model of Complex Defects in Semiconductors: Application to Si:P2 and Si:P2+ Systems"

M.J.Caldas, J.R.Leite and A.Fazzio

Phys. Rev. B 25, 2603 (1982)

205. "The Variational; Cellular Method for Quantum Mechanical Applications: Calculations of the Ground and Excited States of F2 and Ne2 Molecules"

J.R.Leite, A.Fazzio, M.A.P. Lima, A. Dias and A.Rosato

Int. J.Quant.Chem. S15, 401 (1981)

206. "Theoretical Study of Fe2 Molecule Using the Variational Cellular Method"

M.A.Lima, J.R.Leite and A.Fazzio

J.Phys. B 14, L533 (1981)

207. "Theoretical Study of Single Vacancies in GaSb"

L.M. Brescansin and A.Fazzio

Phys. Stat. Sol. (b) 105, 339 (1981)

208. "Electronic Structure of Cu, Ni, Co and Fe Substitutional Impurities in Gallium Arsenide"

A.Fazzio and J.R.Leite

Phys. Rev. B 21, 4710 (1980)

209. "Theoretical Study of the Si-A Centre"

M.J.Caldas, J.R.Leite and A.Fazzio

Phys.Stat.Sol. (b) 98, K109 (1980)

210. "Electronic Structure of Oxigen-Doped Gallium Arsenide"

A.Fazzio, L.M.Brescansin, M.J. Caldas and J.R.Leite

J.Phys. C 12, L831 (1979)

211. "Point Defects in Convalent Semiconductors: A Molecular Cluster Model"

A. Fazzio, M.J.Caldas and J.R.Leite

Int. J. Quant. Chem. S13, 349 (1979)

212. "Study of the Muffin-Tin Aproximation in the Multiple-Scattering Method"

L.G.Ferreira, A.Fazzio, H.Closs and L.M.Brescansin

Int.J. Quant. Chem. XVI, 1021 (1979)

213. "Multiple Scattering-Xa Cluster Model of GaAs: Electronic States of Isolated Vacancies and Substitutional Impurities"

A.Fazzio, J.R.Leite, and M.L. de Siqueira

J.Phys. C 12, 3469 (1979)

214. "A Simple Way of Eliminating the a Exchange Parameter in the Multiple Scattering Method"

A. Fazzio, A.C. Pavão and J.R.Leite

Sol. State Comm. 35, 329 (1980)

215. "Multiple Scattering Mass Operador Method for Molecular Orbital Calculations"

A.C. Pavão, M.Braga, A. Fazzio and J.R. Leite

Int. J.Quant. Chem. XVIII, 1165 (1980)

216. "A Molecular Cluster Model of the Eletronic Structure of IV and III-V Convalent Semiconductors: Application to GaAs"

A. Fazzio, J.R.Leite and M.L. de Siqueira

J.Phys. C 12, 513 (1979)

217. "Molecular Cluster Model of Covalent Semiconductors"

A. Fazzio, J.R.Leite, A.C. Pavão and M.L.de Siqueira

J.Phys. C 11, L 175 (1978)