Orthorhombic carbon allotrope of compressed graphite: Ab initio calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 3, 2012, Pages

  Wang, Jian Tao ^a   Chen, Changfeng ^b   Kawazoe, Yoshiyuki ^c,d  

^a INSTITUTE OF PHYSICS   (China)

^b UNIVERSITY OF NEVADA   (United States)

^c TOHOKU UNIVERSITY   (Japan)

^d KUWAIT INSTITUTE FOR SCIENTIFIC RESEARCH   (Kuwait)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84863055969     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.033410     Document Type: Article

References (28)

1. F. P. Bundy and J. S. Kasper, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1841236 46, 3437 (1967).
2. R. Clarke and C. Uher, Adv. Phys. ADPHAH 0001-8732 10.1080/ 00018738400101691 33, 469 (1984).
3. T. Irifune, A. Kurio, S. Sakamoto, T. Inoue, and H. Sumiya, Nature (London) NATUAS 0028-0836 10.1038/421599b 421, 599 (2003).
4. H. Sumiya and T. Irifune, J. Mater. Res. JMREEE 0884-2914 10.1557/jmr.2007.0295 22, 2345 (2007). (Pubitemid 47299631)
5. F. P. Bundy, W. A. Bassett, M. S. Weathers, R. J. Hemley, H. K. Mao, and A. F. Goncharov, Carbon CRBNAH 0008-6223 10.1016/0008-6223(96)00170-4 34, 141 (1996). (Pubitemid 126341672)
6. E. D. Miller, D. C. Nesting, and J. V. Badding, Chem. Mater. CMATEX 0897-4756 10.1021/cm960288k 9, 18 (1997).
7. W. Utsumi and T. Yagi, Science 252, 1542 (1991).
8. M. Hanfland, K. Syassen, and R. Sonnenschein, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.1951 40, 1951 (1989).
9. T. Yagi, W. Utsumi, M. A. Yamakata, T. Kikegawa, and O.Shimomura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46.6031 46, 6031 (1992).
10. Y. X. Zhao and I. L. Spain, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.993 40, 993 (1989).
11. W. L. Mao, H. K. Mao, P. J. Eng, T. P. Trainor, M. Newville, C. C. Kao, D. L. Heinz, J. F. Shu, Y. Meng, and R. J. Hemley, Science SCIEAS 0036-8075 10.1126/science.1089713 302, 425 (2003). (Pubitemid 37296263)
12. M. Hanfland, H. Beister, and K. Syassen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.39.12598 39, 12598 (1989).
13. Q. Li, Y. M. Ma, A. R. Oganov, H. B. Wang, H. Wang, Y. Xu, T. Cui, H. K. Mao, and G. T. Zou, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102. 175506 102, 175506 (2009).
14. J. T. Wang, C. F. Chen, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.075501 106, 075501 (2011).
15. J. T. Wang, C. F. Chen, and Y. Kawazoe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.012102 84, 012102 (2011).
16. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996);
17. G.Kresse and J. Hafner, Phys. Rev. B 1098-0121 PRBMDO 10.1103/PhysRevB.47.558 47, 558 (1993).
18. P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994);
19. G. Kresse and D.Joubert, Phys. Rev. B 1098-0121 PRBMDO 10.1103/PhysRevB.59.1758 59, 1758 (1999).
20. A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2404663 125, 224106 (2006). (Pubitemid 44927407)
21. See [http://theory.cm.utexas.edu/henkelman].
22. K. Parlinski, Z.-Q. Li, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063 78, 4063 (1997).
23. A. F. Goncharov, J. C. Crowhurst, J. K. Dewhurst, S. Sharma, C.Sanloup, E. Gregoryanz, N. Guignot, and M. Mezouar, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.224114 75, 224114 (2007).
24. K. Umemoto, R. M. Wentzcovitch, S. Saito, and T. Miyake, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.104.125504 104, 125504 (2010).
25. W. G. Aulbur, M. Stadele, and A. Gorling, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.62.7121 62, 7121 (2000). (Pubitemid 32323606)
26. F. Occelli, P. Loubeyre, and R. Letoullec, Nat. Mater. 1476-1122 10.1038/nmat831 2, 151 (2003).
27. S. Scandolo, M. Bernasconi, G. L. Chiarotti, P. Focher, and E.Tosatti, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.4015 74, 4015 (1995).
28. Z. Zhao, B. Xu, X. F. Zhou, L. M. Wang, B. Wen, J. He, Z. Liu, H.T. Wang, and Y. Tian, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.215502 107, 215502 (2011).