Band structures and optical spectra of InN polymorphs: Influence of quasiparticle and excitonic effects

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 20, 2005, Pages

  Furthmuller J ^a   Hahn, P H ^a   Fuchs, F ^a   Bechstedt, F ^a  

^a FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29744449284     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.205106     Document Type: Article

References (95)

1. V. Yu. Davydov, A. A. Klochikhin, R. P. Seisyan, V. V. Emtsev, S. V. Ivanov, F. Bechstedt, J. Furthmüller, H. Harima, A. V. Mudryi, J. Aderhold, O. Semchinova, and J. Graul, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/1521-3951(200202)229:33.0.CO;2-O 229, R1 (2002).
2. J. Wu, W. Walukiewicz, K. M. Yu, J. W. Ager III, E. E. Haller, H. Lu, W. J. Schaff, Y. Saito, and Y. Nanishi, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1482786 80, 3967 (2002).
3. T. Matsuoka, H. Okamoto, M. Nakao, H. Harima, and E. Kurimoto, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1499753 81, 1246 (2002).
4. T. L. Tansley and C. P. Foley, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.336906 59, 3241 (1986).
5. T. V. Shubina, S. V. Ivanov, V. N. Jmerik, D. D. Solnyshkov, V. A. Vekshin, P. S. Kopév, A. Vasson, J. Leymarie, A. Kavokin, H. Amano, K. Shimono, A. Kasic, and B. Monemar, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.117407 92, 117407 (2004).
6. R. Goldhahn, S. Shokovets, V. Cimalla, L. Spiess, G. Ecke, O. Ambacher, J. Furthmüller, F. Bechstedt, H. Lu, and W. J. Schaff, Mater. Res. Soc. Symp. Proc. MRSPDH 0272-9172 743, L5.9 (2003).
7. A. Kasic, E. Valcheva, B. Monemar, H. Lu, and W. J. Schaff, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.115217 70, 115217 (2004).
8. R. Goldhahn, A. T. Winzer, V. Cimalla, O. Ambacher, C. Cobet, W. Richter, N. Esser, J. Furthmüller, F. Bechstedt, H. Lu, and W. J. Schaff, Superlattices Microstruct. SUMIEK 0749-6036 36, 591 (2004).
9. A. G. Bhuiyan, A. Hashimoto, and A. Yamamoto, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1595135 94, 2779 (2003).
10. A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.22.5839 22, 5839 (1980).
11. P. Lawaetz, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.5.4039 5, 4039 (1972).
12. A. P. Lima, A. Tabata, J. R. Leite, S. Kaiser, D. Schikora, B. Schöttker, T. Frey, D. J. As, and K. Lischka, J. Cryst. Growth JCRGAE 0022-0248 201/202, 396 (1999).
13. V. Cimalla, J. Pezoldt, G. Ecke, R. Kosiba, O. Ambacher, L. Spieß, H. Lu, W. J. Schaff, and G. Teichert, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1622985 83, 3468 (2003).
14. N. E. Christensen and I. Gorczyca, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.4397 50, 4397 (1994).
15. L. Bellaiche, K. Kunc, and J. M. Besson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.8945 54, 8945 (1996).
16. M. Ueno, M. Yoshida, A. Onodera, O. Shimomura, and K. Takemura, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.14 49, 14 (1994).
17. A. F. Wright and J. S. Nelson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.7866 51, 7866 (1995).
18. U. Grossner, J. Furthmüller, and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.R1722 58, R1722 (1998).
19. C. Stampfl and C. G. Van de Walle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.5521 59, 5521 (1999).
20. F. Bechstedt and J. Furthmüller, J. Cryst. Growth JCRGAE 0022-0248 10.1016/S0022-0248(02)01756-6 246, 315 (2002).
21. F. Bechstedt, J. Furthmüller, M. Ferhat, L. K. Teles, L. M. R. Scolfaro, J. R. Leite, V. Yu. Davydov, O. Ambacher, and R. Goldhahn, Phys. Status Solidi A PSSABA 0031-8965 10.1002/pssa.200306164 195, 628 (2003).
22. D. Bagayoko, L. Franklin, and G. L. Zhao, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1790064 96, 4297 (2004).
23. P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
24. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
25. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.8800 33, R8800 (1986).
26. J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschrig, (Akademie-Verlag, Berlin, 1991), p. 11.
27. M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.34.5390 34, 5390 (1986).
28. F. Bechstedt, Adv. Solid State Phys. FSTKA2 0430-3393 32, 161 (1992).
29. A. Rubio, J. L. Corkill, M. L. Cohen, E. L. Shirley, and S. G. Louie, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.11810 48, 11810 (1993).
30. T. Kotani and M. Schilfgaarde, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(02)00028-5 121, 461 (2002).
31. C. Stampfl, C. G. Van de Walle, D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.R7846 61, R7846 (2000).
32. S. Bei der Kellen and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11187 54, 11187 (1996).
33. D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.12836 55, 12836 (1997).
34. C. Persson, R. Ahuja, A. Ferreira da Silva, and B. Johansson, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/40/309 13, 8945 (2001).
35. A. Sher, M. van Schilfgaarde, M. A. Berding, S. Krishnamurthy, and A-B. Chen, MRS Internet J. Nitride Semicond. Res. MIJNF7 1092-5783 4S1, G5.1 (1999).
36. M. Städele, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.2089 79, 2089 (1997).
37. S-H. Wei, X. Nie, I. G. Batyrev, and S. B. Zhang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.165209 67, 165209 (2003);
38. P. Carrier and S-H. Wei, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1849425 97, 033707 (2005).
39. C. P. Foley and T. L. Tansley, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.1430 33, 1430 (1986).
40. D. Fritsch, H. Schmidt, and M. Grundmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.235205 67, 235205 (2003);
41. D. Fritsch, H. Schmidt, and M. Grundmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.165204 69, 165204 (2004).
42. F. Bechstedt, J. Furthmüller, O. Ambacher, and R. Goldhahn, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.269701 93, 269701 (2004).
43. B. Adolph, V. I. Gavrilenko, K. Tenelsen, F. Bechstedt, and R. Del Sole, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.9797 53, 9797 (1996).
44. T. Schmidtling, M. Drago, U. W. Pohl, and W. Richter, J. Cryst. Growth JCRGAE 0022-0248 10.1016/S0022-0248(02)01814-6 248, 523 (2003).
45. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
46. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996);
47. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
48. M. M. Rieger and P. Vogl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.16567 52, 16567 (1995).
49. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
50. B. Adolph, J. Furthmüller, and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.125108 63, 125108 (2001).
51. B. Wenzien, G. Cappellini, and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.14701 51, 14701 (1995).
52. J. Furthmüller, G. Cappellini, H-Ch. Weissker, and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.045110 66, 045110 (2002).
53. L. J. Sham and T. M. Rice, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.144.708 144, 708 (1966);
54. W. Hanke and L. J. Sham, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.12.4501 12, 4501 (1975);
55. W. Hanke and L. J. Sham, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.21.4656 21, 4656 (1980).
56. S. Albrecht, L. Reining, R. Del Sole, and G. Onida, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.4510 80, 4510 (1998).
57. L. X. Benedict, E. L. Shirley, and R. B. Bohn, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.4514 80, 4514 (1998).
58. M. Rohlfing and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.856 83, 856 (1999).
59. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
60. W. G. Schmidt, S. Glutsch, P. H. Hahn, and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.085307 67, 085307 (2003).
61. P. H. Hahn, W. G. Schmidt, and F. Bechstedt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.016402 88, 016402 (2002).
62. P. H. Hahn, W. G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, and J. Bernholc, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.037404 94, 037404 (2005).
63. F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 30, 244 (1944).
64. C-Y. Yeh, Z. W. Lu, S. Froyen, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.10086 46, 10086 (1992).
65. W. Paszkowicz, R. Cerný, and S. Krukowski, Powder Diffr. PODIE2 0885-7156 10.1154/1.1566957 18, 114 (2003).
66. R. Juza and H. Hahn, Z. Anorg. Allg. Chem. ZAACAB 0044-2313 10.1002/zaac.19382390307 239, 282 (1938).
67. F. Bechstedt, in Low-Dimensional Nitride Semiconductors, edited by, B. Gil, (Oxford University Press, Oxford, 2002), p. 11.
68. Q. X. Guo, M. Nishio, H. Ogawa, A. Wakahara, and A. Yoshida, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.15304 58, 15304 (1998).
69. Y. Bu, L. Ma, and M. C. Liu, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.578670 11, 2931 (1993).
70. K. A. Rickert, A. B. Ellis, F. J. Himpsel, H. Lu, W. J. Schaff, J. M. Redwing, F. Dwikusuma, and T. F. Kuech, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1573351 82, 3254 (2003).
71. R. Enderlein and N. J. M. Horing, Fundamentals of Semiconductor Physics and Devices (World Scientific, Singapore, 1997).
72. F. Bechstedt and R. Del Sole, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.38.7710 38, 7710 (1988).
73. O. Pulci, F. Bechstedt, G. Onida, R. Del Sole, and L. Reining, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.16758 60, 16758 (1999).
74. S. H. Wei and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.8958 37, 8958 (1988).
75. U. Grossner, J. Furthmüller, and F. Bechstedt, Phys. Status Solidi B PSSBBD 0370-1972 216, 675 (1999).
76. M. Rohlfing, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.6485 57, 6485 (1998).
77. W. A. Harrison, Elementary Electronic Structure (World Scientific, Singapore, 1999).
78. M. Cardona and N. E. Christensen, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(00)00353-7 116, 421 (2000).
79. I. Mahboob, T. D. Veal, L. F. J. Piper, C. F. McConville, H. Lu, W. J. Schaff, J. Furthmüller, and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.201307 69, 201307 (R) (2004).
80. H. Lüth, Solid Surfaces, Interfaces and Thin Films (Springer, Berlin, 2001).
81. J. Tersoff, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.32.6968 32, R6968 (1985).
82. W. Mönch, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.363486 80, 5076 (1996).
83. W. Mönch, Electronic Properties of Semiconductor Interfaces (Springer, Berlin, 2004).
84. M. R. Phillips, M. H. Zareie, O. Gelhausen, M. Drago, T. Schmidtling, and W. Richter, J. Cryst. Growth JCRGAE 0022-0248 10.1016/j.jcrysgro.2004.05.087 269, 106 (2004).
85. J. Wu, W. Walukiewicz, W. Shan, K. M. Yu, J. W. Ager III, E. E. Haller, H. Lu, and W. J. Schaff, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66. 201403 66, 201403 (R) (2002).
86. T. Inushima, M. Higashiwaki, and T. Matsui, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.235204 68, 235204 (2003).
87. J. Misek and F. Srobar, Elektrotech. Cas. ELKCA9 0013-578X 30, 690 (1979).
88. V. Yu. Davydov, A. A. Klochikhin, V. V. Emtsev, D. A. Kundyukov, S. V. Ivanov, V. A. Vekshin, F. Bechstedt, J. Furthmüller, J. Aderhold, J. Graul, A. V. Mudryi, H. Harima, A. Hashimoto, A. Yamamoto, and E. E. Haller, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/1521-3951(200212)234:3<787::AID- PSSB787>3.0.CO;2-H 234, 787 (2002).
89. W. Walukiewicz, S. X. Li, J. Wu, K. M. Yu, J. W. Ager III, E. E. Haller, H. Lu, and W. J. Schaff, J. Cryst. Growth JCRGAE 0022-0248 10.1016/j.jcrysgro. 2004.05.041 269, 119 (2004).
90. T. Kotani (private communication).
91. H. Ehrenreich and M. H. Cohen, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.115.786 115, 786 (1959).
92. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.16223 49, 16223 (1994).
93. E. O. Kane, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(57) 90013-6 1, 249 (1957).
94. C. Hamaguchi, Basic Semiconductor Physics (Springer, Berlin, 2001).
95. J. Wu, W. Walukiewicz, S. X. Li, R. Armitage, J. C. Ho, E. R. Weber, E. E. Haller, H. Lu, W. J. Schaff, A. Barcz, and R. Jakiela, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1704853 84, 2805 (2004).