Abstract
The structure and pressure-induced phase transitions for CdSe are investigated using first-principles calculations. The pressure-induced phase transition sequence WZ/ZB → Rs → Cmcm → CsCl for CdSe is drawn reasonably for the fist time, the corresponding transition pressures are 3.8, 29 and 107 GPa, respectively and the intermediate states between the Cmcm structure and the CsCl structure should exist.
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Asami H, Abe Y, Ohtsu T, Kamiya I and Hara M 2003 J. Phys. Chem. B107 12566
Benkhettou N, Rached D, Soudini B and Driz M 2004 Phys. Status Solidi (b) 1 101
Bhuse V M 2005 Mater. Chem. Phys. 91 60
Birch F 1947 Phys. Rev. 71 809
Blanco A M, Francisco E and Luana V 2004 Comput. Phys. Commun. 158 57
Bonello B and Fernandez B 1993 J. Phys. Chem. Solids 54 209
Bouhemadou A, Zerarga F, Almuhayya A and Bin-Omran S 2011 Mater. Res. Bull. 12 2252
Chahboun A, Levichev S, Rolo A G, Conde O and Gomes M J M 2009 J. Luminescence 129 1235
Chen C C, Chiu M Y, Sheu J T and Wei K H 2008 Appl. Phys. Lett. 92 143105
Cote M, Zakharov O, Rubio A and Cohen M L 1997 Phys. Rev. B55 13025
Deligoz E, Colakoglu K and Ciftci Y 2006 Physica B373 124
Hankare P P, Bhuse V M, Garadkar K M, Delekar S D and Mulla I S 2004 Semicond. Sci. Technol. 19 70
He C Y, Gao C X, Ma Y Y, Liu B G, Li M, Huang X W, Hao A M, Yu C L, Zhang D M, Liu H W and Zou G T 2008 J. Phys. Chem. Solids 69 227
Hodes G, Yaron A A, Decker F and Motisuke P 1987 Phys. Rev. B36 4215
Huang M Z and Ching W Y 1993 Phys. Rev. B47 9449
Madelung O, Schulz M, Weiss H and Landolt-Börstein (eds) 1982 Numerical data and functional relationships in science and technology (Berlin: Springer) Vol. 17
McMahon M I and Nelmes R J 1996 Phys. Status Solidi (b) 198 389
Milman V, Winkler B, White J A, Packard C J, Payne M C, Akhmatskaya E V and Nobes R H 2000 Int. J. Quantum Chem. 77 895
Mohamed S H and Ali H M 2011 J. Appl. Phys. 109 013108
Nelmes R J and McMahon M I 1998 In High pressure in semiconductor physics (eds) T Suski and W Paul (New York: Academic Press)
Ouendadji S, Ghemid S, Meradji H and El Haj Hassan F 2011 Comp. Mater. Sci. 50 1460
Payne M C, Teter M P, Allen D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
Pfrommer B G, Côté M, Louie S G and Cohen M L 1997 J. Comp. Physiol. 131 233
Rabani E 2002 J. Phys. Chem. 116 258
Ramaiah K S, Sua Y K, Chang S J, Juang F S, Ohdairac K, Shiraki Y, Liu H P, Chen L G and Bhatnagar A K 2001 J. Cryst. Growth 224 74
Sarasamak K, Limpijumnong S and Lambrecht W R L 2010 Phy. Rev. B82 035201
Sun X W, Song T, Liu Z J, Zhang C R, Tian J H and Guo P 2011 Solid State Commn. 21 1507
Vanderbilt D 1990 Phys. Rev. B41 7892
Xu Y N and Ching W Y 1993 Phys. Rev. B48 4335
Yu W C and Gielisse P J 1971 Mater. Res. Bull. 6 621
Zakharov O, Rubio A and Cohen M L 1995 Phys. Rev. B51 4926
Zaoui A and Elhaj Hassan F 2001 J. Phys: Condens. Matter 13 253
Zhuravlev K K 2007 Physica B394 1
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Kong, B., Zeng, TX., Zhou, ZW. et al. High pressure phase transitions for CdSe. Bull Mater Sci 37, 549–552 (2014). https://doi.org/10.1007/s12034-014-0707-9
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DOI: https://doi.org/10.1007/s12034-014-0707-9