[1] |
Koenig S, Doganov R, Schmidt H, Castro Neto A and Özyilmaz B 2014 Appl. Phys. Lett. 104 103106
|
[2] |
Xia F N, Wang H and Jia Y C 2014 Nat. Commun. 5 4458
|
[3] |
Li L K, Yu Y J, Ye G J, Ge Q Q, Ou X D, Wu H, Feng D L, Chen X H and Zhang Y B 2014 Nat. Nanotechnol. 9 372.
|
[4] |
Lu W L, Nan H Y, Hong J H, Chen Y M, Zhu C, Liang Z, Ma X Y, Ni Z H, Jin C H and Zhang Z 2014 Nano Res. 7 853
|
[5] |
Burdett J K and MacLarnan T J 1981 J. Chem. Phys. 75 5764
|
[6] |
Hoffmann R 1988 Solids and Surfaces (New York: Wiley-VCH)
|
[7] |
Seo D K and Hoffmann R 1999 J. Solid State Chem. 147 26
|
[8] |
Katzke H and Tolèdano P 2008 Phys. Rev. B 77 024109
|
[9] |
Boulfelfel S E, Seifert G, Grin Y and Leoni S 2012 Phys. Rev. B 85 014110
|
[10] |
Wu J Y, Nagao S, He J Y and Zang Z L 2011 Nano Lett. 11 5264
|
[11] |
Stepkova V, Matron P and Hlinka J 2012 J. Phys.: Condens. Matter 24 212201
|
[12] |
Milchev A and Binder K 2013 Europhys. Lett. 102 58003
|
[13] |
Zhao J H, Kou L Z, Jiang J W and Rabczuk T 2014 Nanotechnol. 25 295701
|
[14] |
Guo H Y, Lu N, Dai J, Wu X J and Zeng X C 2014 J. Phys. Chem. C 118 14051
|
[15] |
Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
|
[16] |
Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
|
[17] |
Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15
|
[18] |
Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
|
[19] |
Blochl P E 1994 Phys. Rev. B 50 17953
|
[20] |
Kresse G and Hafner J 1993 Phys. Rev. B 47 558
|
[21] |
Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
|
[22] |
Brown A and Rundqvist S 1965 Acta Cryst. 19 684
|
[23] |
Lange S, Schmidt P and Nilges T 2007 Inorg. Chem. 46 4028
|
[24] |
Barnett R N and Landman U 1993 Phys. Rev. B 48 2081
|
[25] |
Kühne T D, Krack M, Mohamed F R and Parrinello M 2007 Phys. Rev. Lett. 98 066401
|
[26] |
Pan D X 2015 Chin. Sci. Bull. 60 746 (in Chinese)
|
[27] |
Guan J, Zhu Z and Tománek D 2014 Phys. Rev. Lett. 113 226801
|
[28] |
Frenking G and Shaik S 2014 The Chemical Bond (New York: Wiley-VCH)
|
[29] |
Albright T A, Burdett J K and Whangbo M H 1985 Orbital Interactions in Chemistry (New York: Wiley-VCH)
|
[30] |
Castellanos-Gomez A, Vicarelli L, Prada E, Island J O, Narasimha-Acharya K L, Blanter S I, Groenendijk D J, Buscema M, Steele G A, Alvarez J V, Zandbergen H W, Palacios J J and van der Zant H S J 2014 2D Mater. 1 025001
|
[31] |
Peierls E 1955 Quantum Theory of Solids (Oxford: Clarendon Press)
|
[32] |
Mintmire J W, Dunlap B I and White C T 1992 Phys. Rev. Lett. 68 631
|
[33] |
Saito R, Fujita M, Dresselhaus G and Dresselhaus M S 1992 Phys. Rev. B 46 1804
|
[34] |
Harigaya K and Fujita M 1993 Phys. Rev. B 47 16563
|
[35] |
Okahara K, Tanaka K, Aoki H, Sato T and Yamabe T 1994 Chem. Phys. Lett. 219 462
|
[36] |
Seifert G and Hernández E 2000 Chem. Phys. Lett. 318 355
|
[37] |
Viet N A, Ajiki H and Ando T 1994 J. Phys. Soc. Jpn. 63 3036
|
[38] |
Togo A, Oba F and Tanaka I 2008 Phys. Rev. B 78 134106
|
[39] |
Togo A and Tanaka I 2013 Phys. Rev. B 87 184104
|