Phase-transition mechanism of h-BN → w-BN from first principles

Solid State Communications

Volumn 149, Issue 21-22, 2009, Pages 843-846

  Wang, Hongbo ^a   Li, Quan ^a   Cui, Tian ^a   Ma, Yanming ^a   Zou, Guangtian ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

A. Insulator; D. Phase transition; E. Electron energy loss near edge structure

Indexed keywords

A. INSULATOR; AB-INITIO CALCULATIONS; D. PHASE TRANSITION; E. ELECTRON ENERGY-LOSS NEAR EDGE STRUCTURE; EXPERIMENTAL DATUM; EXPERIMENTAL SUGGESTIONS; FIRST PRINCIPLES; HEXAGONAL BORON NITRIDES; HIGH PRESSURES; PHASE-TRANSITION; TRANSITION PATHS; WURTZITE PHASE;

BORON; BORON NITRIDE; DISSOCIATION; ELECTRON ENERGY LEVELS; NITRIDES; ZINC SULFIDE;

PHASE TRANSITIONS;

EID: 65349181323     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2009.03.016     Document Type: Article

References (26)

1. Wibbelt M., Kohl H., and Kohler-Redlich Ph. Phys. Rev. B 59 (1998) 11739
2. Hsu L.-S., Wang Y.-K., Tai Y.-L., and Lee J.-F. Phys. Rev. B 72 (2005) 115115
3. Meng Y., Mao H.-K., Eng P.J., Trainor T.P., Newville M., Hu M.Y., Kao C.-c., Shu J.F., Hausermann D., and Hemley R.J. Nature Mater. 3 (2004) 111
4. Mao W.L., Mao H.-K., Eng P.J., Trainor T.P., Newville M., Kao C.-c., Heinz D.L., Shu J.F., Meng Y., and Hemley R.J. Science 302 (2003) 425
5. Aquilanti G., Libotte H., Crichton W.A., Pascarelli S., Trapananti A., and Itié J.-P. Phys. Rev. B 76 (2007) 064103
6. Redlich Ph., Banhart F., Lyutovich Y., and Ajayan P.M. Carbon 36 (1998) 561
7. Rehr J.J., and Albers R.C. Rev. Modern Phy. 72 (2000) 621
8. Köstlemeier S., and Elsässer C. Phys. Rev. B 60 (1999) 14025
9. Weng X., Rez P., and Ma H. Phys. Rev. B 40 (1989) 4175
10. Kim E., and Chen C.F. Phys. Lett. A 319 (2003) 384
11. Kern G., Kresse G., and Hafner J. Phys. Rev. B 59 (1998) 8551
12. Margulis V.A., Muryumin E.E., and Gaiduk E.A. Phys. Rev. B 77 (2008) 035425
13. Jia J.J., Callcott T.A., Shirley E.L., Carlisle J.A., Terminello L.J., Asfaw A., Ederer D.L., Himpsel F.J., and Perera R.C.C. Phys. Rev. Lett. 76 (1995) 4054
14. Macnaughton J.B., Moewes A., Wilks R.G., Zhou X.T., Sham T.K., Taniguchi T., Watanabe K., Chan C.Y., Zhang W.J., Bello I., Lee S.T., and Hofsäss H. Phys. Rev. B 72 (2005) 195113
15. Bundy F.P., and Wentorf Jr. R.H. J. Chem. Phys. 38 (1963) 1144
16. Pilyankevich A.N., Kurdyumov A.V., and Ostrovskaya N.F. Phys. Status. Solidi. (A) 116 (1989) k1-k5
17. Riter Jr. J.R. J. Chem. Phys. 59 (1973) 1538
18. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2K, An Augmented-Plane-Wave + Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Technical University of Wien, Austria, 2001), ISBN: 2-9501031-1-2
19. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13244
20. Arenal R., Kociak M., and Zaluzec N.J. Appl. Phys. Lett. 90 (2007) 204105
21. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169
22. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
23. Blöchl P.E. Phys. Rev. B 50 (1994) 17953
24. H.-Souche C., Louf P.-H., Blaha P., Nelhiebel M., Luitz J., Schattschneider P., Schwarz K., and Jouffrey B. Ultramicroscopy 83 (2000) 9
25. Janotti A., Wei S.-H., and Singh D.J. Phys. Rev. B 64 (2001) 174104
26. Ribeiro F.J., Tangney P., Louie S.G., and Cohen M.L. Phys. Rev. B 72 (2005) 214109