First-principles prediction on electronic and magnetic properties of hydrogenated AlN nanosheets

Journal of Computational Chemistry

Volumn 32, Issue 14, 2011, Pages 3122-3128

  Zhang, Chang Wen ^a   Zheng, Fu Bao ^a  

^a UNIVERSITY OF JINAN   (China)

Author keywords

first principles; magnetism; nanostructure

Indexed keywords

ALN; ELECTRONIC AND MAGNETIC PROPERTIES; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; HALF METALS; HYDROGEN ATOMS; MAGNETIC CONFIGURATION; METAL STATE; POTENTIAL APPLICATIONS; RELATIVE STABILITIES; STABLE STRUCTURES; WURTZITE STRUCTURE;

CALCULATIONS; HYDROGENATION; MAGNETIC PROPERTIES; NANOSHEETS; SURFACE STRUCTURE; ZINC SULFIDE;

MAGNETISM;

ALUMINUM DERIVATIVE; ALUMINUM NITRIDE; NANOSHELL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; HYDROGENATION; MAGNETISM; QUANTUM THEORY; SEMICONDUCTOR;

ALUMINUM COMPOUNDS; ELECTRONS; HYDROGENATION; MAGNETICS; MODELS, MOLECULAR; NANOSHELLS; QUANTUM THEORY; SEMICONDUCTORS;

EID: 80052022825     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21902     Document Type: Article

References (44)

1. A. S. Barnard, J Mater Chem 2006, 16, 813.
2. Y. Zhang, Y.-W. Tan, H. L. Stormer, P. Kim, Nature (London) 2005, 438, 201.
3. M. I. Katsnelson, K. S. Novoselov, A. K. Geim, Nat Phys 2006, 2, 620.
4. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, M. Katsnelson, I. V. Grigorieva, S. V. Dubonos, A. A. Firsov, Nature (London) 2005, 438, 197.
5. C. Itzykson, J.-B. Zuber, Quantum Field Theory; Dove: New York, 2006.
6. A. Calogeracos, N. Dombey, Contemp Phys 1999, 40, 31.
7. C. Berger, Z. Song, T. Li, X. Li, A. Y. Ogbazghi, R. Feng, Z. Dai, A. N. Marchenkov, E. H. Conrad, P. N. First, W. A. D. Heer, Science 2006, 312, 1191.
8. Y. Zhang, Y. Tan, H. L. Stormer, P. Kim, Nature (London) 2005, 438, 201.
9. N. D. Mermin, Phys Rev 1968, 176, 250.
10. P. Le Doussal, L. Radzihovsky, Phys Rev Lett 1992, 69, 120.
11. A. Fasolino, J. H. Los, M. I. Katsnelson, Nat Mater 2007, 6, 858.
12. J. C. Meyer, A. K. Geim, M. I. Katsnelson, Nature (London) 2007, 446, 60.
13. Y. W. Son, M. L. Cohen, S. G. Louie, Phys Rev Lett 2006, 97, 216803.
14. V. Barone, O. Hod, G. E. Scuseria, Nano Lett 2006, 6, 2748.
15. K. I. Sasaki, S. Murakami, R. Saito, J Phys Soc Jpn 2006, 75, 074713.
16. D. A. Abanin, P. A. Lee, L. S. Levitov, Phys Rev Lett 2006, 96, 176803.
17. D. A. Areshkin, D. Gunlycke, C. T. White, Nano Lett 2007, 7, 204.
18. M. Ezawa, Phys Rev B 2006, 73, 045432.
19. K. Kobayashi, Phys Rev B 1993, 48, 1757.
20. M. Fujita, K. Wakabayashi, K. Nakada, K. Kusakabe, J Phys Soc Jpn 1996, 65, 1920.
21. K. Nakada, M. Fujita, G. Dresselhaus, M. S. Dresselhaus, Phys Rev B 1996, 54, 17954.
22. Y. W. Son, M. L. Cohen, S. G. Louie, Nature (London) 2006, 444, 347.
23. M. Topsakal, H. Sevinçli, S. Ciraci, Appl Phys Lett 2008, 92, 173118.
24. H. Şahin, R. T. Senger, Phys Rev B 2008, 78, 205423.
25. A. Cresti, N. Nemec, B. Biel, G. Niebler, F. Triozon, G. Cuniberti, S. Roche, Nano Res 2008, 1, 361.
26. K. S. Novoselov, D. Jiang, F. Schedin, T. Booth, V. V. Khotkevich, S. Morozov, A. K. Geim, Proc Natl Acad Sci USA 2005, 102, 10451.
27. D. Pacil, J. C. Meyer, C. O. Girit, A. Zettl, Appl Phys Lett 2008, 92, 133107.
28. Y. Wang, Phys Status Solidi RRL 2010, 4, 34.
29. J. T. Tanskanen, M. Linnolahti, A. J. Karttunen, T. A. Pakkanen, J Phys Chem C 2009, 113, v229.
30. M. Topsakal, E. Akturk, S. Ciraci, Phys Rev B 2009, 79, 115442.
31. C. Tusche, H. L. Meyerheim, J. Kirschner, Phys Rev Lett 2007, 99, 026102.
32. Q. Tang, Y. Li, Z. Zhou, Y. Chen, Z. Chen, Nano Lett 2010, 2, 2442.
33. Y. Wang, Y. Ding, J. Ni, S. Shi, C. Li, J. Shi, Appl Phys Lett 2010, 96, 213117.
34. Q. Chen, J. Wang, L. Zhu, S. Wang, F. Ding, J Chem Phys 2010, 132, 204703.
35. S. Huang, H. Xu, I. Bello, R. Q. Zhang, J Phys Chem C 2010, 114, 8861.
36. Q. Wu, Z. Hu, X. Z. Wang, Y. M. Hu, Y. J. Tian, Y. Chen, Diamond Relat Mater 2004, 13, 38.
37. Z. Zhou, J. Zhao, Y. Chen, P. Schleyer, H. Chen, Nanotechnology 2007, 18, 424023.
38. T. Xie, Y. Lin, G. S. Wu, X. Y. Yuan, Z. Jiang, C. H. Ye, G. W. Meng, L. D. Zhang, Inorg Chem Commun 2004, 7, 545.
39. F. L. Zheng, J. M. Zhang, Y. Zhang, V. Ji, Phys B 2010, 405, 3775.
40. G. Kresse, J. Furthmüller, Phys Rev B 1996, 54, 11169.
41. G. Kresse, J. Joubert, Phys Rev B 1999, 59, 1758.
42. G. Kresse, D. Joubert, Phys Rev B 1999, 59, 1785.
43. H. J. Monkhorst, J. D. Pack, Phys Rev B 1976, 13, 5188.
44. H. Şahin, S. Cahangirov, M. Topsakal, E. Bekaroglu, E. Akturk, R. T. Senger, S. Ciraci, Phys Rev B 2009, 80, 155453.