2009, Vol. 26(7): 77103-077103    DOI: 10.1088/0256-307X/26/7/077103
First-Principles Study of Structural Stabilities, Electronic and Optical Properties of SrF2 under High Pressure
HAO Ai-Min1,2, YANG Xiao-Cui3, LI Jie1, XIN Wei1,2, ZHANG Su-Hong1, ZHANG Xin-Yu1, LIU Ri-Ping1
1State Key Laboratory for Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 0660042Department of Mathematics and Physics, Hebei Normal University of Science and Technology, Qinhuangdao 0660043Department of Physics, Baicheng Normal College, Baicheng 137000
收稿日期 2009-02-11  修回日期 1900-01-01
Supporting info

[1] Samara G A 1976 Phys. Rev. B 13 4529

[2] Leger J M, Haines J, Atouf A, Schulte O and Hull S 1995
Phys. Rev. B 52 13247

[3] Ayala A P 2001 J. Phys.: Condens. Matter 13
11741

[4] Barth J, Johnson R L, Cardona M, Fuchs D and Bradshaw A M
1990 Phys. Rev. B 41 3291

[5] Kourouklis G A and Anastassakis E 1986 Phys. Rev. B
34 1233

[6] Francisco E, Blanco M A and Sanjurjo G 2001 Phys.
Rev. B 63 094107

[7] Kanchana V, Vaitheeswaran G and Rajagopalan M 2003
Physica B 328 283

[8] Kanchana V, Vaitheeswaran G and Rajagopalan M 2003 J.
Alloys and Compounds 359 66

[9] Jiang H T, Pandey R, Darrigan C and R\'{erat M 2003
J. Phys.: Condens. Matter 15 709

[10] Khenata R, Daoudi B, Sahnoun M, Baltache H, R\'{erat M,
Reshak A H, Bouhafs B, Abid H and Driz M 2005 Eur. Phys. J. B
47 63

[11] Wu X, Qin S and Wu Z Y 2006 Phys. Rev. B 73
134103

[12] M\'{erawa M, Llunell M, Orlando R, Gelize-Duvignau M and
Dovesi R 2003 Chem. Phys. Lett. 368 7

[13] Wu C I, Hirose Y, Sirringhaus H and Kahn A 1997
Chem. Phys. Lett. 272 43

[14] Segall M D, Lindan P J D, Probert M J, Pickard C J,
Hasnip P J, Clark S J and Payne M C 2002 J. Phys.: Condens.
Matter 14 2717

[15] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev.
Lett. 77 3865

[16] Francis G P and Payne M C 1990 J. Phys.: Condens.
Matter 2 4395

[17] Birch F 1978 J. Geophys. Res. 83 1257

[18] Kalpana G, Palanivel B and Rajagopalan M 1994 Phys.
Rev. B 50 12318

[19] Wu X, Dong Y H, Qin S, Abbas M and Wu Z Y 2005 Solid
State Commun. 136 416

[20] Sun S R and Dong Y H 2005 Phys. Rev. B 72
174101

[21] Li Y W, Li B, Cui T, Li Y, Zhang L J, Ma Y M and Zou G T
2008 J. Phys.: Condens. Matter 20 045211

[22] Ma Y M, Eremets M, Oganov A R, Xie Y, Trojan I, Medvedev
S, Lyakhov A O, Valle M and Prakapenka V 2009 Nature 458
182

[23] Hamann D R, Schluter M and Chiang C 1979 Phys. Rev.
Lett. 43 1494

[24] Yang X C, Hao A M, Yang J, Han Y H, Peng G, Gao C X and
Zou G T 2008 Chin. Phys. Lett. 25 1807

[25] Zhang X Y, Chen Z W, Qi Y P, Feng Y, Zhao L, Qi L, Ma M
Z, Liu R P and Wang W K 2007 Chin. Phys. Lett. 24 1032

[26] Guo X J, Xu B, Liu Z Y, Yu D L, He J L and Guo L C 2008
Chin. Phys. Lett. 25 2158