Electronic and lattice dynamical properties of II-IV-N2 semiconductors

Physica Status Solidi (C) Current Topics in Solid State Physics

Volumn 8, Issue 7-8, 2011, Pages 2492-2499

  Punya, Atchara ^a   Paudel, Tula R ^a   Lambrecht, Walter R L ^a  

^a CASE WESTERN RESERVE UNIVERSITY   (United States)

Author keywords

LDA+U; Oxygen vacancy; ZnO

Indexed keywords

ELECTRONIC BAND STRUCTURE; ENERGIES OF FORMATION; EXPERIMENTAL DATA; FULL-POTENTIAL LINEARIZED MUFFIN-TIN ORBITAL; GW METHOD; III-NITRIDES; LATTICE DYNAMICAL PROPERTIES; LDA + U; QUASI PARTICLES; TERNARY SEMICONDUCTORS; ZNO;

GERMANIUM; LATTICE VIBRATIONS; NITRIDES; OXYGEN VACANCIES; TIN; ZINC OXIDE;

SEMICONDUCTING SILICON COMPOUNDS;

EID: 79960734701     PISSN: 18626351     EISSN: 16101642     Source Type: Journal    
DOI: 10.1002/pssc.201001147     Document Type: Article

References (57)

1. M. Maunaye and J. Lang, Mater. Res. Bull 5, 793 (1970).
2. T. Endo, Y. Sato, H. Takizawa, and M. Shimada, J. Mater. Sci. Lett. 11, 424 (1992).
3. W. L. Larson, H. P. Maruska, and A. Stevenson, J. Electrochem. Soc. 121, 1683 (1974).
4. J. David, Y. Laurent, and J. Lang, Bull. Soc. Fr. Mineral. Cristallogr. 93, 153-159 (1970).
5. P. Eckerlin, Z. anorg. allgem. Chem. 353, 225-336 (1967).
6. M. Maunaye, R. Marchand, J. Guyader, Y. Laurent, and J. Lang, Bull. Soc. Fr. Mineral. Cristallogr. 94, 561-564 (1971).
7. M.Wintenberger, J. Guyader, and M. Maunaye, Solid State Commun. 11, 1485-1488 (1972).
8. L. Zhu, P. Maruska, P. Norris, P. Yip, and L. Bouthillette, MRS Internet J. Nitride Semicond. Res. 4S1, G3.8 (1999).
9. T. Cloitre, A. Sere, and R. L. Aulombard, Superlatt. Microstruct. 36 (2004).
10. T. Misaki, K. Tsuchiya, D. Sakai, A. Wakahara, H. Okada, and Y. A., Phys. Status Solidi C 0, 188-191 (2000).
11. T. Misaki, A. Wakahara, H. Okada, and A. Yoshida, Phys. Status Solidi C 0, 2890-2893 (2003).
12. T. Misaki, A.Wakahara, H. Okada, and A. Yoshia, J. Cryst. Growth 260, 1049 (2004).
13. S. Kikkawa and H. Morisaka, Solid State Commun. 112, 513-515 (1999).
14. K. Du, C. Bekele, C.C. Hayman, J. C. Angus, P. Pirouz, and K. Kash, J. Cryst. Growth 310, 1057 (2008).
15. R. Viennois, T. Taliercio, V. Potin, A. Errebbahi, B. Gil, S. Charar, A. Haidoux, and J. C. T'edenac, Mater. Sci. Eng. B 82, 45-49 (2001).
16. T. J. Peshek, T. R. Paudel, K. Kash, and W. R. L. Lambrecht, Phys. Rev. B 77(23), 235213 (2008).
17. J. Muth, A. Cai, A. Osinsky, H. Everitt, B. Cook, and I. Avrutsky, Optical properties of II-IV-N2 semiconductors, in: GaN, AlN, InN, and Their Alloys, edited by C. Wetzel, B. Gil, M. Kuzuhara, and M. Manfra, Mater. Res. Soc. Symp. Proc.Vol. 831 (MRS, Pittsburgh, 2005), p. E11.45.1.
18. B. P. Cook, H. O. Everitt, I. Avrutsky, A. Osinsky, A. Cai, and J. F. Muth, Appl. Phys. Lett. 86(121906) (2005).
19. A. Mintairov, J. Merz, A. Osinsky, V. Fuflyigin, and L. Zhu, Appl. Phys. Lett. 76(18), 2517 (2000).
20. S. J. Pearton, M. E. Overberg, C. R. Abernathy, N.A. Theodoropoulou, A. F. Hebard, S. N. G. Chu, A. Osinsky, V. Fuflyigin, L.D. Zhu, A.Y. Polyakov, and R. G. Wilson, J. Appl. Phys. 92, 2047 (2002).
21. A. Osinsky, V. Fufluigin, L. D. Zhu, L. D. Goulakov, J. Graff, and E. Schubert, New concepts and preliminary results for SiC bipolar transistors: ZnSiN2 and ZnGeN2 heterojunction emitters, in: 2000 IEEE/Cornell Conference on High Performance devices (IEEE, 2000), pp. 168-172.
22. S. Limpijumnong, S. N. Rashkeev, and W. R. L. Lambrecht,MRS Internet J. Nitride Semicond. Res. 4S1, G6.11(1999).
23. T. Misaki, X. Wu, A. Wakahara, and A. Yoshida, Theoretical analysis of multinary nitride semicondutors by density functional theory, in: Proceedings of the International Workshop on Nitride Semiconductors, IPAP Conference Series, Vol. 1 (The Institute of Pure and Applied Physics, Tokyo, 2000), pp. 685-688.
24. V. L. Shaposhnikov, A.V. Krivosheeva, F. Arnaud D'Avitaya, J. L. Lazzari, and V. E. Borisenko, Phys. Status Solidi B 245, 142-148 (2008).
25. T.R. Paudel, Structure, Phonons and related Properties in Zn-IV-N2 (IV=Si, Ge,Sn), ScN and Rare-Earth Nitrides, PhD thesis, Case Western Reserve University, 2008.
26. T.R. Paudel and W.R. L. Lambrecht, Phys. Rev. B 76(11), 115205 (2007).
27. T.R. Paudel and W.R. L. Lambrecht, Phys. Rev. B 78(11), 115204 (2008).
28. T.R. Paudel and W.R. L. Lambrecht, Phys. Rev. B 79(24), 245205 (2009).
29. P. Hohenberg and W. Kohn, Phys. Rev. 136(3B), B864- B871 (1964).W. Kohn and L. J. Sham, Phys. Rev. 140(4A), A1133- A1138 (1965).[31] X. Gonze, Phys. Rev. B 55(16), 10337-10354 (1997).
30. W. Kohn and L. J. Sham, Phys. Rev. 140(4A), A1133- A1138 (1965).
31. X. Gonze, Phys. Rev. B 55(16), 10337-10354 (1997).
32. X. Gonze and C. Lee, Phys. Rev. B 55(16), 10355-10368 (1997).
33. M. Veithen, X. Gonze, and P. Ghosez, Phys. Rev. B 71(12) 125107 (2005).
34. D. R. Hamann, X. Wu, K.M. Rabe, and D. Vanderbilt, Phys. Rev. B 71(3), 035117 (2005).
35. X. Wu, D. Vanderbilt, and D.R. Hamann, Phys. Rev. B 72(3), 035105 (2005).
36. M. Fuchs and M. Scheffler, Comput. Phys. Commun. 119, 67-98 (1999).
37. X. Gonze, J. M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, and F. Jollet, Comput. Mater. Sci. 25(3), 478-492 (2002).
38. D. Vanderbilt and R. D. King-Smith, Phys. Rev. B 48(7), 4442-4455 (1993).
39. M. Methfessel, M. van Schilfgaarde, and R.A. Casali, A Full-Potential LMTO Method Based on Smooth Hankel Functions, in: Electronic Structure and Physical Properties of Solids. The Use of the LMTO Method, edited by H. Dreyss'e, Lecture Notes in Physics, Vol. 535 ( Springer Verlag, Berlin, 2000), p. 114.
40. T. Kotani and M. van Schilfgaarde, Phys. Rev. B 81(12), 125117 (2010).
41. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77(18), 3865-3868 (1996).
42. M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. 96(22), 226402 (2006).
43. M. van Schilfgaarde, T. Kotani, and S.V. Faleev, Phys. Rev. B 74(24), 245125 (2006).
44. T. Kotani,M. van Schilfgaarde, and S.V. Faleev, Phys.Rev. B 76(16), 165106 (2007).
45. L. Hedin, Phys. Rev. 139(3A), A796-A823 (1965).
46. L. Hedin and S. Lundqvist, Effects of electron-electron and electron-phonon interactions on the one-electron states of solids, in: Solid State Physics, Advanced in Research and Applications, edited by F. Seitz, D. Turnbull, and H. Ehrenreich (Academic Press, New York, 1969), pp. 1-181.
47. F. Aryasetiawan and O. Gunnarsson, Phys. Rev. B 49(23), 16214-16222 (1994).
48. T. J. Peshek, J. C. Angus, and K. Kash, J. Cryst. Growth 311, 185-189 (2008).
49. K. A. Gschneider, Physical properties and interrelationships of metallic and semimetallic elements, in: Solid State Physics, Advanced in Research and Applications, edited by F. Seitz and D. Turnbull (Academic Press, New York, 1964), pp. 275-426.
50. K. P. Huber and G. Herzberg, Molecular Structure and Molecular Spectra, IV. Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
51. V. Wathelet, B. Champagne, D. H. Mosley, J.M. Andr'e, and S. Massida, Chem. Phys. Lett. 275, 506-512 (1997).
52. W.R. L. Lambrecht, E. Alldredge, and K. Kim, Phys. Rev. B 72(15), 155202 (2005).
53. T.R. Paudel and W.R. L. Lambrecht, Phys. Rev. B 79(8), 085205 (2009).
54. S. Granville, C. Meyer, A. R. H. Preston, B. M. Ludbrook, B. J. Ruck, H. J. Trodahl, T.R. Paudel, and W. R. L. Lambrecht, Phys. Rev. B 79(5), 054301 (2009).
55. A. F. Wright, J. Appl. Phys. 82, 2833-2839 (1997).
56. F. Bernardini, V. Fiorentini, and D. Vanderbilt, Phys. Rev. B 56(16), R10024-R10027 (1997).
57. A. Boonchun and W.R. L. Lambrecht, Phys. Rev. B 81(23), 235214 (2010).