[1] |
Chi T 1979 J. Phys. Chem. Ref. Data 8 339
|
[2] |
McMahon M I and Nelmes R J 2006 Chem. Soc. Rev. 35 943
|
[3] |
Wigner E and Seitz F 1933 Phys. Rev. 43 804
|
[4] |
Wigner E and Seitz F 1934 Phys. Rev. 46 509
|
[5] |
Fabbris G, Lim J, Veiga L, Haskel D and Schilling J 2015 Phys. Rev. B 91 085111
|
[6] |
Li Y, Wang Y, Pickard C J, Needs R J, Wang Y and Ma Y 2015 Phys. Rev. Lett. 114 125501
|
[7] |
Guillaume C L, Gregoryanz E, Degtyareva O, McMahon M I, Hanfland M, Evans S, Guthrie M, Sinogeikin S V and Mao H 2011 Nat. Phys. 7 211
|
[8] |
Feng Y, Chen J, Alfé D, Li X Z and Wang E 2015 J. Chem. Phys. 142 064506
|
[9] |
Xie Y, John S T, Cui T, Oganov A R, He Z, Ma Y and Zou G 2007 Phys. Rev. B 75 064102
|
[10] |
Xie Y, Ma Y, Cui T, Li Y, Qiu J and Zou G 2008 New J. Phys. 10 063022
|
[11] |
Schaeffer A M, Temple S R, Bishop J K and Deemyad S 2015 Proc. Natl. Acad. Sci. 112 60
|
[12] |
Shimizu K, Ishikawa H, Takao D, Yagi T and Amaya K 2002 Nature 419 597
|
[13] |
Struzhkin V V, Eremets M I, Gan W, Mao H K and Hemley R J 2002 Science 298 1213
|
[14] |
Deemyad S and Schilling J S 2003 Phys. Rev. Lett. 91 167001
|
[15] |
Lv J, Wang Y, Zhu L and Ma Y 2011 Phys. Rev. Lett. 106 015503
|
[16] |
Ma Y, Eremets M, Oganov A R, Xie Y, Trojan I, Medvedev S, Lyakhov A O, Valle M and Prakapenka V 2009 Nature 458 182
|
[17] |
Matsuoka T and Shimizu K 2009 Nature 458 186
|
[18] |
Matsuoka T, Sakata M, Nakamoto Y, Takahama K, Ichimaru K, Mukai K, Ohta K, Hirao N, Ohishi Y and Shimizu K 2014 Phys. Rev. B 89 144103
|
[19] |
Marqués M, McMahon M, Gregoryanz E, Hanfland M, Guillaume C, Pickard C, Ackland G and Nelmes R 2011 Phys. Rev. Lett. 106 095502
|
[20] |
Shannon R T and Prewitt C T 1969 Acta Crystallogr. Sect. B -Struct. Sci. 25 925
|
[21] |
Zhang X and Zunger A 2010 Phys. Rev. Lett. 104 245501
|
[22] |
Desgreniers S, John S T, Matsuoka T, Ohishi Y and Justin J T 2015 Sci. Adv. 1 e1500669
|
[23] |
Botana J and Miao M S 2014 Nat. Commun. 5 4861
|
[24] |
Dong X, Oganov A R, Qian G, Zhou X F, Zhu Q and Wang H T 2015 arXiv: 1503.00230 [cond-mat.mtrl-sci]
|
[25] |
Bale C 1989 J. Phase Equilib. 10 262
|
[26] |
Bale C 1989 J. Phase Equilib. 10 268
|
[27] |
Bale C 1989 J. Phase Equilib. 10 232
|
[28] |
Bale C 1989 J. Phase Equilib. 10 265
|
[29] |
Canales M, González D, González L and Padró J 1998 Phys. Rev. E 58 4747
|
[30] |
Anento N, Casas J, Canales M, González D, González L and Padró J 1999 J. Non-Cryst. Solids 250 348
|
[31] |
González L, González D, Silbert M and Alonso J 1993 J. Phys.-Condens. Matter 5 4283
|
[32] |
Gonzalez D J, Gonzalez L E, Lopez J M and Stott M J 2004 Phys. Rev. E 69 031205
|
[33] |
Teweldeberhan A M and Bonev S A 2011 Phys. Rev. B 83 134120
|
[34] |
Tamblyn I, Raty J Y and Bonev S A 2008 Phys. Rev. Lett. 101 075703
|
[35] |
Wang Y, Lv J, Zhu L and Ma Y 2010 Phys. Rev. B 82 094116
|
[36] |
Wang Y, Lv J, Zhu L and Ma Y 2012 Comput. Phys. Commun. 183 2063
|
[37] |
Yan X, Chen Y, Xiang S, Kuang X, Bi Y and Chen H 2016 Phys. Rev. B 93 214112
|
[38] |
Yan X, Chen Y, Kuang X and Xiang S 2015 J. Chem. Phys. 143 124310
|
[39] |
Zhang M, Yan H, Zhang G and Wang H 2012 Chin. Phys. B 21 076103
|
[40] |
Lv J, Zhang J, Liang R and Wu H 2016 Chin. Phys. B 25 063103
|
[41] |
Zhang G, Bai T, Zhao Y and Lu C 2013 Chin. Phys. B 22 116104
|
[42] |
Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
|
[43] |
Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
|
[44] |
Togo A, Oba F and Tanaka I 2008 Phys. Rev. B 78 134106
|
[45] |
Speight J G 2005 Lange's Handbook of Chemistry (New York: McGraw-Hill)
|
[46] |
Connerade J P 2003 Phys. Scripta 68 C25
|
[47] |
Maksimov E G, Magnitskaya M V and Fortov V E 2005 Phys.-Usp. 48 761
|
[48] |
Connerade J P 2013 J. Phys.: Conf. Ser. 438 012001
|
[49] |
Bader R F 1985 Accounts Chem. Res. 18 9
|
[50] |
Henkelman G, Arnaldsson A and Jónsson H 2006 Comp. Mater. Sci. 36 354
|
[51] |
Tang W, Sanville E and Henkelman G 2009 J. Phys. -Condens. Matter 21 084204
|
[52] |
Naumov I I and Hemley R J 2015 Phys. Rev. Lett. 114 156403
|
[53] |
Oganov A R, Ma Y, Xu Y, Errea I, Bergara A and Lyakhov A O 2010 Proc. Natl. Acad. Sci. 107 7646
|
[54] |
Pickard C J and Needs R J 2010 Nat. Mater. 9 624
|
[55] |
Li P, Gao G, Wang Y and Ma Y 2010 J. Phys. Chem. C 114 21745
|
[56] |
Shishkin M and Kresse G 2006 Phys. Rev. B 74 035101
|
[57] |
Fuchs F, Furthmüller J, Bechstedt F, Shishkin M and Kresse G 2007 Phys. Rev. B 76 115109
|
[58] |
Shishkin M and Kresse G 2007 Phys. Rev. B 75 235102
|
[59] |
Shishkin M, Marsman M and Kresse G 2007 Phys. Rev. Lett. 99 246403
|