Structural, elastic, and polarization parameters and band structures of wurtzite ZnO and MgO

Journal of Applied Physics

Volumn 112, Issue 7, 2012, Pages

  Jang, S H ^a   Chichibu, S F ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ALLOY SYSTEM; ELASTIC STIFFNESS CONSTANT; GROUND STATE PROPERTIES; HUBBARD; MGO; OUT-OF-PLANE LATTICES; PHYSICAL MEANINGS; PIEZOELECTRIC CONSTANT; POLARIZATION PARAMETERS; SPONTANEOUS POLARIZATIONS; STRAIN-FREE; WURTZITES; ZNO;

BAND STRUCTURE; LATTICE CONSTANTS; LOCAL DENSITY APPROXIMATION; ZINC OXIDE; ZINC SULFIDE;

POLARIZATION;

EID: 84867524218     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4757023     Document Type: Article

References (41)

1. A. Tsukazaki, A. Ohtomo, T. Onuma, M. Ohtani, T. Makino, M. Sumiya, K. Ohtani, S. F. Chichibu, S. Fuke, Y. Segawa, H. Ohno, H. Koinuma, and M. Kawasaki, Nature Mater. 4, 42 (2005). 10.1038/nmat1284
2. A. Tsukazaki, M. Kubota, A. Ohtomo, T. Onuma, K. Ohtani, H. Ohno, S. F. Chichibu, and M. Kawasaki, Jpn. J. Appl. Phys., Part 2 44, L643 (2005). 10.1143/JJAP.44.L643
3. Ü. Özgür, Y. I. Alivov, C. Liu, A. Teke, M. A. Reshchikov, S. Dogan, V. Avrutin, S. J. Cho, and H. Morkoç, J. Appl. Phys. 98, 041301 (2005). 10.1063/1.1992666
4. C. Klingshirn, Phys. Status Solidi B 244, 3027 (2007). 10.1002/pssb.200743072
5. Summarized in A. Ohtomo and A. Tsukazaki, Semicond. Sci. Technol. 20, S1 (2005). 10.1088/0268-1242/20/4/001
6. R. Schmidt, B. Rheinländer, M. Schubert, D. Spemann, T. Buts, J. Lenzner, E. M. Kaidashev, M. Lorenz, A. Rahm, H. C. Semmelhack, and M. Grundmann, Appl. Phys. Lett. 82, 2260 (2003). 10.1063/1.1565185
7. A. Tsukazaki, A. Ohtomo, T. Kita, Y. Ohno, H. Ohno, and M. Kawasaki, Science 315, 1388 (2007); 10.1126/science.1137430
8. A. Tsukazaki, A. Ohtomo, T. Kita, Y. Ohno, H. Ohno, and M. Kawasaki, Appl. Phys. Express 1, 055004 (2008). 10.1143/APEX.1.055004
9. K. Nakahara, S. Akasaka, H. Yuji, K. Tamura, T. Fujii, Y. Nishimoto, D. Takamizu, A. Sasaki, T. Tanabe, H. Takasu, H. Amaike, T. Onuma, S. F. Chichibu, A. Tsukazaki, and M. Kawasaki, Appl. Phys. Lett. 97, 013501 (2010). 10.1063/1.3459139
10. A. Schleife, M. Eisenacher, C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 81, 245210 (2010). 10.1103/PhysRevB.81.245210
11. A. Ohtomo, M. Kawasaki, T. Koida, K. Masubuchi, H. Koinuma, Y. Sakurai, Y. Yoshida, T. Yasuda, and Y. Segawa, Appl. Phys. Lett. 72, 2466 (1998). 10.1063/1.121384
12. P. Gopal and N. A. Spaldin, J. Electron. Mater. 35, 538 (2006). 10.1007/s11664-006-0096-y
13. S. Massidda, R. Resta, M. Posternak, and A. Baldereschi, Phys. Rev. B 52, R16977 (1995). 10.1103/PhysRevB.52.R16977
14. F. Bernardini, V. Fiorentini, and D. Vanderbilt, Phys. Rev. B 56, R10024 (1997). 10.1103/PhysRevB.56.R10024
15. Y. Noel, C. M. Zicovich-Wilson, B. Civalleri, Ph. DAcro, and R. Dovesi, Phys. Rev. B 65, 014111 (2001). 10.1103/PhysRevB.65.014111
16. D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B 52, R14316 (1995). 10.1103/PhysRevB.52.R14316
17. R. A. Powell, W. E. Spicer, and J. C. McMenamin, Phys. Rev. Lett. 27, 97 (1971). 10.1103/PhysRevLett.27.97
18. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
19. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
20. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
21. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982). 10.1103/PhysRevB.26.1738
22. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Frastesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condes. Matter 21, 395502 (2009). 10.1088/0953-8984/21/39/395502
23. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993). 10.1103/PhysRevB.47.1651
24. D. Vanderbilt and R. D. King-Smith, Phys. Rev. B 48, 4442 (1993). 10.1103/PhysRevB.48.4442
25. R. Resta, Rev. Mod. Phys. 66, 899 (1994). 10.1103/RevModPhys.66.899
26. Y. Matsumoto, M. Murakami, Z. Jin, A. Ohtomo, M. Lippmaa, M. Kawasaki, and H. Koinuma, Jpn. J. Appl. Phys., Part 2 38, L603 (1999). 10.1143/JJAP.38.L603
27. H. Nishinaka, Y. Kamada, N. Kameyama, and S. Fujita, Phys. Status Solidi B 247, 1460 (2010). 10.1002/pssb.200983247
28. Y. Nishimoto, K. Nakahara, D. Takamizu, A. Sasaki, K. Tamura, S. Akasaka, H. Yuji, T. Fuji, T. Tanabe, H. Takasu, A. Tsukazaki, A. Ohtomo, T. Onuma, S. F. Chichibu, and M. Kawasaki, Appl. Phys. Express 1, 091202 (2008). 10.1143/APEX.1.091202
29. Y. Sawai, K. Hazu, and S. F. Chichibu, J. Appl. Phys. 108, 063541 (2010). 10.1063/1.3485600
30. H. Shi, P. Zhang, S.-S. Li, B. Sun, and B. Wang, Phys. Lett. A 373, 3577 (2009). 10.1016/j.physleta.2009.07.074
31. A. F. Wright, J. Appl. Phys. 82, 2833 (1997). 10.1063/1.366114
32. T. B. Bateman, J. Appl. Phys. 33, 3309 (1962). 10.1063/1.1931160
33. G. Carlotti, D. Fioretto, G. Socino, and E. Verona, J. Phys.: Condens. Matter 7, 9147 (1995). 10.1088/0953-8984/7/48/006
34. G. Carlotti, G. Socino, A. Petri, and E. Verona, Appl. Phys. Lett. 51, 1889 (1987). 10.1063/1.98502
35. T. Azuhata, M. Takesada, T. Yahi, A. Shikanai, S. F. Chichibu, K. Toril, A. Nakamura, T. Sota, G. Cantwell, D. B. Eason, and C. W. Litton, J. Appl. Phys. 94, 968 (2003). 10.1063/1.1586466
36. I. B. Kobiakov, Solid State Commun. 35, 305 (1980). 10.1016/0038-1098(80) 90502-5
37. R. Ahuja, L. Fast, O. Eriksson, J. M. Wills, and B. Johansson, J. Appl. Phys. 83, 8065 (1998). 10.1063/1.367901
38. A. Zaoui and W. Sekkal, Phys. Rev. B 66, 174106 (2002). 10.1103/PhysRevB.66.174106
39. M. Catti, Y. Noel, and R. Dovesi, J. Phys. Chem. Solids 64, 2183 (2003). 10.1016/S0022-3697(03)00219-1
40. Y. Chen, G. Saraf, Y. Lu, L. S. Wielunski, and T. Siegrist, J. Vac. Sci. Technol. A 25, 857 (2007). 10.1116/1.2748801
41. S.-H. Park and D.-Y. Ahn, Appl. Phys. Lett. 87, 253509 (2005). 10.1063/1.2149294