2012, Vol. 29(1): 17303-017303    DOI: 10.1088/0256-307X/29/1/017303
Structural, Electronic and Optical Properties of KTa0.5Nb0.5O3 Surface: A First-Principles Study
SUN Hong-Guo1**, ZHOU Zhong-Xiang1, YUAN Cheng-Xun1, YANG Wen-Long1, WANG He2
1Department of Physics, Harbin Institute of Technology, Harbin 150001
2College of Pharmacy, Heilongjiang University of Chinese Medicine, Harbin 150040
收稿日期 2011-08-09  修回日期 1900-01-01
Supporting info
[1] Zhao X Y, Wang Y H, Zhang M, Zhao N, Gong S and Chen Q 2011 Chin. Phys. Lett. 28 0607101
[2] Gong S, Wang Y H, Zhao X Y, Zhang M, Zhao N and Duan Y F 2011 Chin. Phys. Lett. 28 087402
[3] Shen Y Q and Zhou Z X 2008 J. Appl. Phys. 103 074113
[4] Wang Y, Shen Y Q and Zhou Z X 2011 Physica B 406 850
[5] Shen Y Q and Zhou Z X 2008 Comput. Mater. Sci. 42 434
[6] Ishai P B, Agranat A J and Feldman Y 2006 Phys. Rev. B 73 104
[7] Francesco I, Stefano C and Rosa D F 2008 J. Phys. Chem. C 112 13540
[8] Rauls E, Blankenburg S and W G Schmidt 2008 Surf. Sci. 602 2170
[9] Ma S H, Zu X T and Jiao Z Y 2008 Solid State Commun. 147 152
[10] Kotomin E A, Mastrikov Y A, Heifetsa E and Maiera J 2008 Phys. Chem. Chem. Phys. 10 4644
[11] Kaghazchi P and Jacob T 2007 Phys. Rev. B 76 245425
[12] Zhu W H and Xiao H M, 2007 J. Solid State Chem. 180 3521
[13] Falabrettia B and Robertson J, 2007 J. Appl. Phys. 102 123703
[14] Wang X P, Wang J Y, Yu Y G, Zhang H J and Boughton R I 2006 J. Cryst. Growth 293 398
[15] Jin D, Rehman A, Qain H Q, Jiang L Z, Zhang H J, Li H Y, He P M and Bao S N 2011 Chin. Phys. Lett. 28 116804
[16] Szukiewicz R, Kolaczkiewicz J andYakovkin I N 2008 Surf. Sci. 602 2610
[17] Li D F, Guo Z C, Li B L, Dong H N and Xiao H Y 2011 Chin. Phys. Lett. 28 086802
[18] Ubogy I, Stepanovski S and Kolaczkiewicz J 2000 Phys. Rev. B 61 11097
[19] Zhao N, Wang Y H, Zhao X Y, Zhang M and Gong S 2011 Chin. Phys. Lett. 28 077101
[20] 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
[21] Hanske P O, Yacoby Y, Leon J M, Stern E A and Rehr J J 1991 Phys. Rev. B 44 6700
[22] Sun H G, Zhou Z X, Shen Y Q and Yuan C X 2010 Comput. Mater. Sci. 50 338
[23] Shen Y Q, Zhou Z X, Tian H and Jang Y Y 2007 Physica B 400 212
[24] Xie Y, Yu H T, Zhang G X, Fu H G and Sun J Z 2007 J. Phys. Chem. C 111 6343
[25] Ciucivara A, Sahu B and Kleinman L 2008 Phys. Rev. B 77 092407
[26] Didomenico M and Wemple S H 1969 J. Appl. Phys. 40 720