Structural, elastic, electronic and dynamical properties of OsB and ReB: Density functional calculations

Chemical Physics Letters

Volumn 492, Issue 4-6, 2010, Pages 246-250

  Li, Yanling ^a,b,c   Zeng, Zhi ^b   Lin, Haiqing ^c  

^a JIANGSU NORMAL UNIVERSITY   (China)

^b INSTITUTE OF SOLID STATE PHYSICS   (China)

^c CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

BRILLOUIN ZONES; DENSITY-FUNCTIONAL CALCULATIONS; DYNAMICAL PROPERTIES; ELASTIC ANISOTROPY; FIRST-PRINCIPLES CALCULATION; HIGH HARDNESS; INCOMPRESSIBLE SOLIDS; PHONON DISPERSIONS; PHONON SPECTRUM; STRUCTURAL PHASE TRANSITION;

ELECTRON-PHONON INTERACTIONS; PHASE TRANSITIONS;

DENSITY FUNCTIONAL THEORY;

EID: 77954243358     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.04.074     Document Type: Article

References (48)

1. R.W. Cumberland, M.B. Weinberger, J.J. Gilman, S.M. Clark, S.H. Tolbert, and R.B. Kaner J. Am. Chem. Soc. 127 2005 7264
2. R.B. Kaner, J.J. Gilman, and S.H. Tolbert Science 308 2005 1268
3. H.-Y. Chung, M.B. Weinberger, J.B. Levine, A. Kavner, J.-M. Yang, S.H. Tolbert, and R.B. Kaner Science 316 2007 436
4. A.F. Young, C. Sanloup, E. Gregoryanz, S. Scandolo, R.J. Hemley, and H.K. Mao Phys. Rev. Lett. 96 2006 155501
5. G.M. Rignanese, J.-C. Charlier, and X. Gonze Phys. Rev. B 66 2002 205412
6. V.L. Solozhenko, D. Andrault, G. Fiquet, M. Mezouar, and D.C. Rubie Appl. Phys. Lett. 78 2001 1385
7. D.W. He, Y.S. Zhao, L. Daemen, J. Qian, T.D. Shen, and T.W. Zerda Appl. Phys. Lett. 81 2002 643
8. V.L. Solozhenko, O.O. Kurakevych, D. Andrault, Y.L. Godec, and M. Mezouar Phys. Rev. Lett. 102 2009 015506
9. E. Gregoryanz, C. Sanloup, M. Somayazulu, J. Badro, G. Fiquet, H.-K. Mao, and R. Hemley Nat. Mater. 3 2004 294
10. W. Zhou, H. Wu, and T. Yildirim Phys. Rev. B 76 2007 184113
11. J. Qin, D. He, J. Wang, L. Fang, L. Lei, Y. Li, J. Hu, Z. Kou, and Y. Bi Adv. Mater. 20 2008 4780
12. A. Latini, J. Rau, D. Ferro, R. Teghil, V.R. Albertini, and S.M. Barinov Chem. Mater. 20 2008 4507
13. J.B. Levine, S.L. Nguyen, H.I. Rasool, J.A. Wright, S.E. Brown, and R.B. Kaner J. Am. Chem. Soc. 130 2008 16953
14. J.V. Rau, and A. Latini Chem. Mater. 21 2009 1407
15. M.B. Weinberger, J.B. Levine, H.-Y. Chung, R.W. Cumberland, H.I. Rasool, J.-M. Yang, R.B. Kaner, and S.H. Tolbert Chem. Mater. 21 2009 1915
16. Q. Gu, G. Krauss, and W. Steurer Adv. Mater. 20 2008 3620
17. H. Gou, L. Hou, J. Zhang, H. Li, G. Sun, and F. Gao Appl. Phys. Lett. 88 2006 221904
18. Z.Y. Chen, H.J. Xiang, J. Yang, J.G. Hou, and Q. Zhu Phys. Rev. B 74 2006 012102
19. Y.X. Wang Appl. Phys. Lett. 91 2007 101904
20. Y. Liang, and B. Zhang Phys. Rev. B 76 2007 132101
21. J. Yang, H. Sun, and C. Chen J. Am. Chem. Soc. 130 2008 7200
22. X.Q. Chen, C.L. Fu, M. Krmar, and G.S. Painter Phys. Rev. Lett. 100 2008 196403
23. M. Wang, Y. Li, T. Cui, Y. Ma, and G. Zou Appl. Phys. Lett. 93 2008 101905
24. Y.L. Li, G.H. Zhong, and Z. Zeng Chin. Phys. B 18 2009 4437
25. S. Aydin, and M. Simsek Phys. Rev. B 80 2009 134107
26. Z. Chen, M. Gu, C. Sun, X. Zhang, and R. Liu Appl. Phys. Lett. 91 2007 061905
27. H. Gou, L. Hou, J. Zhang, and F. Gao Appl. Phys. Lett. 92 2008 241901
28. X. Guo, J. He, D. Yu, Z. Liu, and Y. Tian Appl. Phys. Lett. 93 2008 041904
29. Y. Liang, C. Li, W. Guo, and W. Zhang Phys. Rev. B 79 2009 024111
30. Z. Wu, X. Hao, X. Liu, and J. Meng Phys. Rev. B 75 2007 054115
31. Y.L. Li, and Z. Zeng Chem. Phys. Lett. 474 2009 93
32. Y.L. Li, and Z. Zeng Solid State Commun. 149 2009 1591
33. Y. Liang, J. Zhao, and B. Zhang Solid State Commun. 146 2008 450
34. W.L. McMillan Phys. Rev. 167 1968 331
35. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne J. Phys.: Cond. Matt. 14 2002 2717
36. B.G. Pfrommer, M. Cote, S.G. Louie, and M.L. Cohen J. Comput. Phys. 131 1997 133
37. R. Hill Proc. Phys. Soc. A 65 1952 349
38. P. Giannozzi J. Phys.: Condens. Matter 21 2009 395502
39. Additional supporting tables and figures referenced in the text. This material is available free of charge via the Internet at http://ees.elsevier. com/cplett/.
40. F. Birch Phys. Rev. 71 1947 809
41. S.I. Ranganathan, and M. Ostoja-Starzewski Phys. Rev. Lett. 101 2008 055504
42. D.M. Teter MRS. Bull. 23 1998 22
43. O.L. Anderson J. Phys. Chem. Solids 24 1963 909
44. E.I. Isaev, S.I. Simak, I.A. Abrikosov, R. Ahuja, Yu. Kh. Vekilov, M.I. Katsnelson, A.I. Lichtenstein, and B. Johansson J. Appl. Phys. 101 2007 123519
45. M. Calandra, and F. Mauri Phys. Rev. Lett. 101 2008 016401
46. J. Nagamatsu, N. Nakagawa, T. Muranaka, Y. Zenitani, and J. Akimitsu Nature 410 2001 63
47. E.A. Ekimov, V.A. Sidorov, E.D. Bauer, N.N. Mel'nik, N.J. Curro, J.D. Thompson, and S.M. Stishov Nature 428 2004 542
48. N. Murata, J. Haruyama, J. Reppert, A.M. Rao, T. Koretsune, S. Saito, M. Matsudaira, and Y. Yagi Phys. Rev. Lett. 101 2008 027002