First-principles calculations of ZnO polar surfaces and N adsorption mechanism

Wuli Xuebao/Acta Physica Sinica

Volumn 59, Issue 6, 2010, Pages 4170-4177

  Li, Qi ^a   Fan, Guang Han ^a   Xiong, Wei Ping ^a   Zhang, Yong ^a  

^a SOUTH CHINA NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; First principles; N adsorption; ZnO polar surfaces

Indexed keywords

EID: 77954000432     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (25)

1. Bagnall D M, Chen Y F, Zhu Z, Koyama S, Shen M Y, Goto T, Yao T 1997 Appl. Phys. Lett. 70 2230.
2. Chang Y L, Zhang Q F, Sun H, Wu J L 2007 Acta Phys. Sin. 56 2399 (in Chinese).
3. Yang J J, Fang Q Q, Wang B M, Wang C P, Zhou J, Li Y, Liu Y M, Lü Q R 2007 Acta Phys. Sin. 56 1116 (in Chinese).
4. Matsui H, Saeki H, Kawai T, Sasaki A, Yoshimoto M, Tsubaki M, Tabata H 2005 J. Vac. Sci. Technol. B 22 2454.
5. Dong Y F, Fang Z Q, Look D C, Cantwell G, Zhang J, Song J J, Brillson L J 2008 Appl. Phys. Lett. 93 072111.
6. Hong S K, Hanada T, Ko H J, Chen Y, Imai D, Araki K, Shinohara M, Saitoh K, Terauchi M, Yao T 2002 Phys. Rev. B 65 115331.
7. Losurdo M, Giangregorio M M 2005 Appl. Phys. Lett. 86 091901.
8. Nakahara K 2004 U. S. Patent 7002179.
9. Nishidate K, Yoshizawa M, Hasegawa M 2008 Phys. Rev. B 77 035330.
10. Wang Y, Meyer B, Yin X, Kunat M, Langenberg D, Traeger F, Birkner A, Woll C 2005 Phys. Rev. Lett. 95 266104.
11. Park J S, Hong S K, Minegishi T, Park S H, Im I H, Hanada T, Cho M W, Yao T 2007 Appl. Phys. Lett. 90 201907.
12. Chevtchenko S A, Moore J C, Özgür Ü, Gu X, Baski A A, Morkoc H, Nemeth B, Nause J E 2006 Appl. Phys. Lett. 89 182111.
13. Segall M D, Lindan P J D, Probert M J 2002 J. Phys.: Condens. Matter 14 2717.
14. Vanderbilt D 1990 Phys. Rev. B 41 789.
15. Perdew J, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865.
16. Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188.
17. Fischer T H, Almlof J 1992 J. Phys. Chem. 96 9768.
18. Karazhanov S Z, Ravindran P, Kjekshus A 2006 J. Appl. Phys. 100 043709.
19. Schleife A, Fuchs F, Furthmuller J, Bechstedt F 2006 Phys. Rev. B 73 245212.
20. Janotti A, Segev D, Van de Walle C G 2006 Phys. Rev. B 74 45202.
21. Leontiev S A, Koshcheev S V, Devyatov V G, Cherkashin A E, Mikheeva E P 1997 J. Struct. Chem. 38 725.
22. Schröer P, Krüger P, Pollmann J 1993 Phys. Rev. B 47 6971.
23. Wagner M R, Haboeck U, Zimmer P, Hoffmann A, Lautenschläger S, Neumann C, Sann J, Meyer B K 2007 Proc. SPIE 6474 64740X.
24. Bartel T P, Wagner M R, Haboeck U, Hoffmann A, Neumann C, Lautenschläger S, Sann J, Meyer B K 2008 Proc. SPIE 6895 689502.
25. Mariano A N, Hanneman R E 1963 J. Appl. Phys. 34 384.