Please wait a minute...
Chinese Physics B
Chin. Phys. B, 2019, Vol. 28(10): 106104    DOI: 10.1088/1674-1056/ab4179
Special Issue: TOPICAL REVIEW — CALYPSO structure prediction methodology and its applications to materials discovery
TOPICAL REVIEW—CALYPSO structure prediction methodology and its applications to materials discovery Prev   Next  

Discovery of superhard materials via CALYPSO methodology
Shuangshuang Zhang(张爽爽), Julong He(何巨龙), Zhisheng Zhao(赵智胜), Dongli Yu(于栋利), Yongjun Tian(田永君)
Center for High Pressure Science(CHiPS), State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China
Abstract  The study of superhard materials plays a critical role in modern industrial applications due to their widespread applications as cutting tools, abrasives, exploitation drills, and coatings. The search for new superhard materials with superior performance remains a hot topic and is mainly considered as two classes of materials:(i) the light-element compounds in the B-C-N-O(-Si) system with strong and short covalent bonds, and (ii) the transition-element light-element compounds with strong covalent bonds frameworks and high valence electron density. In this paper, we review the recent achievements in the prediction of superhard materials mostly using the advanced CALYPSO methodology. A number of novel, superhard crystals of light-element compounds and transition-metal borides, carbides, and nitrides have been theoretically identified and some of them account well for the experimentally mysterious phases. To design superhard materials via CALYPSO methodology is independent of any known structural and experimental data, resulting in many remarkable structures accelerating the development of new superhard materials.
Keywords:  CALYPSO      superhard materials      crystal structure      prediction  
Received:  30 June 2019      Revised:  03 September 2019      Accepted manuscript online: 
PACS:  61.50.Ah (Theory of crystal structure, crystal symmetry; calculations and modeling)  
  61.50.Ks (Crystallographic aspects of phase transformations; pressure effects)  
  31.15.A- (Ab initio calculations)  
Fund: Project supported by the National Key Research and Development Program of China (Grant No. 2018YFA0703400), the National Natural Science Foundation of China (Grant Nos. 51722209, 51572235, and 51672238), the 100 Talents Plan of Hebei Province of China (Grant No. E2016100013), the NSF for Distinguished Young Scholars of Hebei Province of China (Grant No. E2018203349), and the Key Research and Development Program of Hebei Province of China (Grant No. 17211110D).
Corresponding Authors:  Zhisheng Zhao     E-mail:  zzhao@ysu.edu.cn

Cite this article: 

Shuangshuang Zhang(张爽爽), Julong He(何巨龙), Zhisheng Zhao(赵智胜), Dongli Yu(于栋利), Yongjun Tian(田永君) Discovery of superhard materials via CALYPSO methodology 2019 Chin. Phys. B 28 106104

[33] Tian Y, Xu B and Zhao Z 2012 Int. J. Refract. Met. Hard Mater. 33 93
[1] Huang Q, Yu D, Xu B, Hu W, Ma Y, Wang Y, Zhao Z, Wen B, He J, Liu Z and Tian Y 2014 Nature 510 250
[34] Li Q, Zhou D, Wang H, Chen W, Wu B, Wu Z and Zheng W 2012 Solid State Commun. 152 71
[2] Tian Y, Xu B, Yu D, Ma Y, Wang Y, Jiang Y, Hu W, Tang C, Gao Y, Luo K, Zhao Z, Wang L M, Wen B, He J and Liu Z 2013 Nature 493 385
[35] Gou H, Li Z, Wang L M, Lian J and Wang Y 2012 AIP Adv. 2 012171
[3] Zhao Z, Xu B and Tian Y 2016 Annu. Rev. Mater. Res. 46 383
[36] Gao F, Xu R and Liu K 2005 Phys. Rev. B 71 052103
[4] Zhu C, Bi H, Zhang S, Wei S and Li Q 2015 RSC Adv. 5 65745
[37] Yu R, Zhan Q and Zhang X F 2006 Appl. Phys. Lett. 88 051913
[5] Zhu C, Li Q, Zhou Y, Zhang M, Zhang S and Li Q 2014 J. Phys. Chem. C 118 27252
[38] kirkpatrick S, Gelatt C D and Vecchi M P 1983 Science 220 671
[6] Hu Y J, Xu S L, Wang H, Liu H, Xu X C and Cai Y X 2016 Chin. Phys. Lett. 33 106102
[39] Glass C W, Oganov A R and Hansen N 2006 Comput. Phys. Commun. 175 713
[7] Calandra M and Mauri F 2008 Phys. Rev. Lett. 101 016401
[40] Deaven D M and Ho K M 1995 Phys. Rev. Lett. 75 288
[8] Solozhenko V L, Kurakevych O O, Andrault D, Le Godec Y and Mezouar M 2009 Phys. Rev. Lett. 102 015506
[41] Goedecker S 2004 J. Chem. Phys. 120 9911
[9] Zinin P V, Ming L C, Ishii H A, Jia R, Acosta T, Hellebr and E 2012 J. Appl. Phys. 111 114905
[42] Wales D J and Doye J P K 1997 J. Phys. Chem. A 101 5111
[10] Solozhenko V L, Andrault D, Fiquet G, Mezouar M and Rubie D C 2001 Appl. Phys. Lett. 78 1385
[43] Pickard C J and Needs R J 2011 J. Phys. Condens. Matter. 23 053201
[11] Gao Y, Wu Y, Huang Q, Ma M, Pan Y, Xiong M, Li Z, Zhao Z, He J and Yu D 2018 Comput. Mater. Sci. 148 157
[44] Wang Y, Lv J, Zhu L and Ma Y 2010 Phys. Rev. B 82 094116
[12] Luo X, Guo X, Liu Z, He J, Yu D, Tian Y and Wang H T 2007 J. Appl. Phys. 101 083505
[45] Wang Y, Lv J, Zhu L and Ma Y 2012 Comput. Phys. Commun. 183 2063
[13] Sun H, Jhi S H, Roundy D, Cohen M L and Louie S G 2001 Phys. Rev. B 64 094108
[46] Li Q, Ma Y, Oganov A R, Wang H, Wang H, Xu Y, Cui T, Mao H K and Zou G 2009 Phys. Rev. Lett. 102 175506
[14] Gao Y, Wu Y, Huang Q, Ma M, Pan Y, Xiong M, Li Z, Zhao Z, He J and Yu D 2017 J. Appl. Phys. 121 225103
[47] Amsler M, Flores-Livas J A, Lehtovaara L, Balima F, Ghasemi S A, Machon D, Pailhés S, Will, A, Caliste D, Botti S, San Miguel A, Goedecker S and Marques M A L 2012 Phys. Rev. Lett. 108 065501
[15] Oganov A R, Chen J, Gatti C, Ma Y, Ma Y, Glass C W, Liu Z, Yu T, Kurakevych O O and Solozhenko V L 2009 Nature 457 863
[48] Wang J T, Chen C and Kawazoe Y 2011 Phys. Rev. Lett. 106 075501
[16] An Q, Reddy K M, Xie K Y, Hemker K J and Goddard W A 2016 Phys. Rev. Lett. 117 085501
[49] Wang J T, Chen C and Kawazoe Y 2012 Phys. Rev. B 85 033410
[17] He X L, Shao X, Chen T, Tai Y K, Weng X J, Chen Q, Dong X, Gao G, Sun J, Zhou X F, Tian Y and Wang H T 2019 Phys. Rev. B 99 184111
[50] Mao W L 2003 Science 302 425
[18] He D, Zhao Y, Daemen L, Qian J, Shen T D and Zerda T W 2002 Appl. Phys. Lett. 81 643
[51] Wang Z, Zhao Y, Tait K, Liao X, Schiferl D, Zha C, Downs R T, Qian J, Zhu Y and Shen T 2004 Proc. Natl. Acad. Sci. 101 13699
[19] Guo X, He J, Liu Z, Tian Y, Sun J and Wang H T 2006 Phys. Rev. B 73 104115
[52] Zinin P V, Ming L C, Kudryashov I, Konishi N and Sharma S K 2007 J. Raman Spectrosc. 38 1362
[20] Li Y W, Li Q and Ma Y M 2011 EPL Europhys. Lett. 95 66006
[53] Yao Y, Tse J S and Klug D D 2009 Phys. Rev. B 80 094106
[21] Liu C, Zhao Z, Luo K, Hu M, Ma M and He J 2017 Diam. Relat. Mater. 73 87
[54] Jiang C, Lin Z and Zhao Y 2009 Phys. Rev. B 80 184101
[22] Zhang M, Yan H, Zheng B and Wei Q 2015 Sci. Rep. 5 15481
[55] Li Q, Wang H, Tian Y, Xia Y, Cui T, He J, Ma Y and Zou G 2010 J. Appl. Phys. 108 023507
[23] Li Q, Wang J, Zhang M, Li Q and Ma Y 2015 RSC Adv. 5 35882
[56] Zhao Z, Cui L, Wang L M, Xu B, Liu Z, Yu D, He J, Zhou X F, Wang H T and Tian Y 2010 Cryst. Growth. 10 5024
[24] Hu M, He J, Zhao Z, Strobel T A, Hu W, Yu D, Sun H, Liu L, Li Z, Ma M, Kono Y, Shu J, Mao H, Fei Y, Shen G, Wang Y, Juhl S J, Huang J Y, Liu Z, Xu B and Tian Y 2017 Sci. Adv. 3 e1603213
[57] Wang Y, Lv J, Li Q, Wang H and Ma Y 2019 Handbook of Materials Modeling (Cham: Springer International Publishing) pp. 1-28
[25] Wang Y, Panzik J E, Kiefer B and Lee K K M 2012 Sci. Rep. 2 520
[58] Su C, Lv J, Li Q, Wang H, Zhang L, Wang Y and Ma Y 2017 J. Phys. Condens. Matter 29 165901
[26] Zhou X F, Qian G R, Dong X, Zhang L, Tian Y and Wang H T 2010 Phys. Rev. B 82 134126
[59] Wang Y, Lv J, Zhu L, Lu S, Yin K, Li Q, Wang H, Zhang L and Ma Y 2015 J. Phys. Condens. Matter 27 203203
[27] Umemoto K, Wentzcovitch R M, Saito S and Miyake T 2010 Phys. Rev. Lett. 104 125504
[60] Wang Y and Ma Y 2014 J. Chem. Phys. 140 040901
[28] Zhou R and Zeng X C 2012 J. Am. Chem. Soc. 134 7530
[61] Zhang X, Wang Y, Lv J, Zhu C, Li Q, Zhang M, Li Q and Ma Y 2013 J. Chem. Phys. 138 114101
[29] Tian F, Dong X, Zhao Z, He J and Wang H T 2012 J. Phys. Condens. Matter 24 165504
[62] Ceder G 2010 MRS Bull. 35 693
[30] Zhao Z, Xu B, Zhou X F, Wang L M, Wen B, He J, Liu Z, Wang H T and Tian Y 2011 Phys. Rev. Lett. 107 215502
[63] Lv J, Wang Y, Zhu L and Ma Y 2011 Phys. Rev. Lett. 106 015503
[64] Wang H, Tse J S, Tanaka K, Iitaka T and Ma Y 2012 Proc. Natl. Acad. Sci. 109 6463
[65] Li Y, Hao J, Liu H, Li Y and Ma Y 2014 J. Chem. Phys. 140 174712
[31] Zhao Y, He D W, Daemen L L, Shen T D, Schwarz R B, Zhu Y, Bish D L, Huang J, Zhang J, Shen G, Qian J and Zerda T W 2002 J. Mater. Res. 17 3139
[66] Wang H, Wang Y, Lv J, Li Q, Zhang L and Ma Y 2016 Comput. Mater. Sci. 112 406
[32] Solozhenko V L 2002 High Press. Res. 22 519
[67] Li Q and Zheng W T 2016 Chin. Phys. B 25 076103
[33] Tian Y, Xu B and Zhao Z 2012 Int. J. Refract. Met. Hard Mater. 33 93
[68] Zhao Z, Tian F, Dong X, Li Q, Wang Q, Wang H, Zhong X, Xu B, Yu D, He J, Wang H T, Ma Y and Tian Y 2012 J. Am. Chem. Soc. 134 12362
[34] Li Q, Zhou D, Wang H, Chen W, Wu B, Wu Z and Zheng W 2012 Solid State Commun. 152 71
[69] Zhu L, Liu H, Pickard C J, Zou G and Ma Y 2014 Nat. Chem. 6 644
[35] Gou H, Li Z, Wang L M, Lian J and Wang Y 2012 AIP Adv. 2 012171
[70] Zhu L, Wang H, Wang Y, Lv J, Ma Y, Cui Q, Ma Y and Zou G 2011 Phys. Rev. Lett. 106 145501
[36] Gao F, Xu R and Liu K 2005 Phys. Rev. B 71 052103
[71] Wang Y, Lv J, Zhu L and Ma Y 2010 Phys. Rev. B 82 094116
[37] Yu R, Zhan Q and Zhang X F 2006 Appl. Phys. Lett. 88 051913
[72] Zhang M, Liu H, Du Y, Zhang X, Wang Y and Li Q 2013 Phys. Chem. Chem. Phys. 15 14120
[38] kirkpatrick S, Gelatt C D and Vecchi M P 1983 Science 220 671
[73] Li Z, Hu M, Ma M, Gao Y, Xu B, He J, Yu D, Tian Y and Zhao Z 2016 Carbon 105 151
[39] Glass C W, Oganov A R and Hansen N 2006 Comput. Phys. Commun. 175 713
[74] Hu M, Tian F, Zhao Z, Huang Q, Xu B, Wang L M, Wang H T, Tian Y and He J 2012 J. Phys. Chem. C 116 24233
[40] Deaven D M and Ho K M 1995 Phys. Rev. Lett. 75 288
[75] Somayazulu M, Ahart M, Mishra A K, Geballe Z M, Baldini M, Meng Y, Struzhkin V V and Hemley R J 2019 Phys. Rev. Lett. 122 027001
[41] Goedecker S 2004 J. Chem. Phys. 120 9911
[76] Drozdov A P, Kong P P, Minkov V S, Besedin S P, Kuzovnikov M A, Mozaffari S, Balicas L, Balakirev F F, Graf D E, Prakapenka V B, Greenberg E, Knyazev D A, Tkacz M and Eremets M I 2019 Nature 569 528
[42] Wales D J and Doye J P K 1997 J. Phys. Chem. A 101 5111
[77] Zurek E 2019 Physics 12 1
[43] Pickard C J and Needs R J 2011 J. Phys. Condens. Matter. 23 053201
[78] Pan Y, Xie C, Xiong M, Ma M, Liu L, Li Z, Zhang S, Gao G, Zhao Z, Tian Y, Xu B and He J 2017 Chem. Phys. Lett. 689 68
[44] Wang Y, Lv J, Zhu L and Ma Y 2010 Phys. Rev. B 82 094116
[79] Hu M, Zhao Z, Tian F, Oganov A R, Wang Q, Xiong M, Fan C, Wen B, He J, Yu D, Wang H T, Xu B and Tian Y 2013 Sci. Rep. 3 1331
[45] Wang Y, Lv J, Zhu L and Ma Y 2012 Comput. Phys. Commun. 183 2063
[80] Zhao Z, Xu B, Wang L M, Zhou X F, He J, Liu Z, Wang H T and Tian Y 2011 ACS Nano 5 7226
[46] Li Q, Ma Y, Oganov A R, Wang H, Wang H, Xu Y, Cui T, Mao H K and Zou G 2009 Phys. Rev. Lett. 102 175506
[81] Pan Y, Hu M, Ma M, Li Z, Gao Y, Xiong M, Gao G, Zhao Z, Tian Y, Xu B and He J 2017 Carbon 115 584
[47] Amsler M, Flores-Livas J A, Lehtovaara L, Balima F, Ghasemi S A, Machon D, Pailhés S, Will, A, Caliste D, Botti S, San Miguel A, Goedecker S and Marques M A L 2012 Phys. Rev. Lett. 108 065501
[82] Hu M, Huang Q, Zhao Z, Xu B, Yu D and He J 2014 Diam. Relat. Mater. 46 15
[48] Wang J T, Chen C and Kawazoe Y 2011 Phys. Rev. Lett. 106 075501
[83] Hu M, He J, Wang Q, Huang Q, Yu D, Tian Y and Xu B 2014 J. Superhard Mater. 36 257
[49] Wang J T, Chen C and Kawazoe Y 2012 Phys. Rev. B 85 033410
[84] Hu M, Pan Y, Luo K, He J, Yu D and Xu B 2015 Carbon 91 518
[50] Mao W L 2003 Science 302 425
[85] Xiong M, Luo K, Yu D, Zhao Z, He J and Gao G 2017 J. Appl. Phys. 121 165106
[51] Wang Z, Zhao Y, Tait K, Liao X, Schiferl D, Zha C, Downs R T, Qian J, Zhu Y and Shen T 2004 Proc. Natl. Acad. Sci. 101 13699
[86] Xiong M, Fan C, Zhao Z, Wang Q, He J, Yu D, Liu Z, Xu B and Tian Y 2014 J. Mater. Chem. C 2 7022
[52] Zinin P V, Ming L C, Kudryashov I, Konishi N and Sharma S K 2007 J. Raman Spectrosc. 38 1362
[87] Xiong M, Luo K, Pan Y, Liu L, Gao G, Yu D, He J, Xu B and Zhao Z 2018 J. Alloys Compd. 731 364
[53] Yao Y, Tse J S and Klug D D 2009 Phys. Rev. B 80 094106
[88] Guo X, Li L, Liu Z, Yu D, He J, Liu R, Xu B, Tian Y and Wang H T 2008 J. Appl. Phys. 104 023503
[54] Jiang C, Lin Z and Zhao Y 2009 Phys. Rev. B 80 184101
[89] Xie C, Ma M, Liu C, Pan Y, Xiong M, He J, Gao G, Yu D, Xu B, Tian Y and Zhao Z 2017 J. Mater. Chem. C 5 5897
[55] Li Q, Wang H, Tian Y, Xia Y, Cui T, He J, Ma Y and Zou G 2010 J. Appl. Phys. 108 023507
[90] Zhang B 2016 J. Alloys Compd. 663 862
[56] Zhao Z, Cui L, Wang L M, Xu B, Liu Z, Yu D, He J, Zhou X F, Wang H T and Tian Y 2010 Cryst. Growth. 10 5024
[91] Mattesini M and Matar S F 2001 Int. J. Inorg. Mater. 3 943
[57] Wang Y, Lv J, Li Q, Wang H and Ma Y 2019 Handbook of Materials Modeling (Cham: Springer International Publishing) pp. 1-28
[92] Tateyama Y, Ogitsu T, Kusakabe K, Tsuneyuki S and Itoh S 1997 Phys. Rev. B 55 R10161
[58] Su C, Lv J, Li Q, Wang H, Zhang L, Wang Y and Ma Y 2017 J. Phys. Condens. Matter 29 165901
[93] Zhou X F, Sun J, Qian Q R, Guo X, Liu Z, Tian Y and Wang H T 2009 J. Appl. Phys. 105 093521
[59] Wang Y, Lv J, Zhu L, Lu S, Yin K, Li Q, Wang H, Zhang L and Ma Y 2015 J. Phys. Condens. Matter 27 203203
[94] Zhou X F, Sun J, Fan Y X, Chen J, Wang H T, Guo X, He J and Tian Y 2007 Phys. Rev. B 76 100101
[60] Wang Y and Ma Y 2014 J. Chem. Phys. 140 040901
[95] Li Y, Hao J, Liu H, Lu S and Tse J S 2015 Phys. Rev. Lett. 115 105502
[61] Zhang X, Wang Y, Lv J, Zhu C, Li Q, Zhang M, Li Q and Ma Y 2013 J. Chem. Phys. 138 114101
[96] Teter D M and Hemley R J 1996 Science 271 53
[62] Ceder G 2010 MRS Bull. 35 693
[97] Liu A Y and Cohen M L 1990 Phys. Rev. B 41 10727
[63] Lv J, Wang Y, Zhu L and Ma Y 2011 Phys. Rev. Lett. 106 015503
[98] Guo Q, Xie Y, Wang X, Lv S, Hou T and Liu X 2003 Chem. Phys. Lett. 380 84
[64] Wang H, Tse J S, Tanaka K, Iitaka T and Ma Y 2012 Proc. Natl. Acad. Sci. 109 6463
[99] Zinin P V, Ming L C, Sharma S K, Hong S M, Xie Y, Irifune T and Shinmei T 2008 J. Phys. Conf. Ser. 121 062002
[65] Li Y, Hao J, Liu H, Li Y and Ma Y 2014 J. Chem. Phys. 140 174712
[100] Liu J, Sekine T and Kobayashi T 2006 Solid State Commun. 137 21
[66] Wang H, Wang Y, Lv J, Li Q, Zhang L and Ma Y 2016 Comput. Mater. Sci. 112 406
[101] Liu A Y and Cohen M L 1989 Science 245 841
[67] Li Q and Zheng W T 2016 Chin. Phys. B 25 076103
[102] Li D, Shi J, Lai M, Li R and Yu D 2014 Phys. B Condens. Matter 449 90
[68] Zhao Z, Tian F, Dong X, Li Q, Wang Q, Wang H, Zhong X, Xu B, Yu D, He J, Wang H T, Ma Y and Tian Y 2012 J. Am. Chem. Soc. 134 12362
[103] Li Q, Liu H, Zhou D, Zheng W, Wu Z and Ma Y 2012 Phys. Chem. Chem. Phys. 14 13081
[69] Zhu L, Liu H, Pickard C J, Zou G and Ma Y 2014 Nat. Chem. 6 644
[104] Zhang M, Wei Q, Yan H, Zhao Y and Wang H 2014 J. Phys. Chem. C 118 3202
[70] Zhu L, Wang H, Wang Y, Lv J, Ma Y, Cui Q, Ma Y and Zou G 2011 Phys. Rev. Lett. 106 145501
[105] Stavrou E, Lobanov S, Dong H, Oganov A R, Prakapenka V B, Konôpková Z and Goncharov A F 2016 Chem. Mater. 28 6925
[71] Wang Y, Lv J, Zhu L and Ma Y 2010 Phys. Rev. B 82 094116
[106] Xu L, Zhao Z, Wang L M, Xu B, He J, Liu Z and Tian Y 2010 J. Phys. Chem. C 114 22688
[72] Zhang M, Liu H, Du Y, Zhang X, Wang Y and Li Q 2013 Phys. Chem. Chem. Phys. 15 14120
[107] Zhang M, Liu H, Li Q, Gao B, Wang Y, Li H, Chen C and Ma Y 2015 Phys. Rev. Lett. 114 015502
[73] Li Z, Hu M, Ma M, Gao Y, Xu B, He J, Yu D, Tian Y and Zhao Z 2016 Carbon 105 151
[108] Liu H, Li Q, Zhu L and Ma Y 2011 Phys. Lett. A 375 771
[74] Hu M, Tian F, Zhao Z, Huang Q, Xu B, Wang L M, Wang H T, Tian Y and He J 2012 J. Phys. Chem. C 116 24233
[109] Ma M, Yang B, Hu M, Li Z, Wang Q, Cui L, Yu D and He J 2015 Phys. Chem. Chem. Phys. 17 9748
[75] Somayazulu M, Ahart M, Mishra A K, Geballe Z M, Baldini M, Meng Y, Struzhkin V V and Hemley R J 2019 Phys. Rev. Lett. 122 027001
[110] Liu Z, He J, Yang J, Guo X, Sun H, Wang H T, Wu E and Tian Y 2006 Phys. Rev. B 73 172101
[76] Drozdov A P, Kong P P, Minkov V S, Besedin S P, Kuzovnikov M A, Mozaffari S, Balicas L, Balakirev F F, Graf D E, Prakapenka V B, Greenberg E, Knyazev D A, Tkacz M and Eremets M I 2019 Nature 569 528
[111] Liu H, Li Q, Zhu L and Ma Y 2011 Solid State Commun. 151 716
[77] Zurek E 2019 Physics 12 1
[112] Xu L, Zhao Z, Wang Q, Wang L M, Xu B, He J and Tian Y 2011 J. Appl. Phys. 110 013501
[78] Pan Y, Xie C, Xiong M, Ma M, Liu L, Li Z, Zhang S, Gao G, Zhao Z, Tian Y, Xu B and He J 2017 Chem. Phys. Lett. 689 68
[113] Li Q, Chen W, Xia Y, Liu Y, Wang H, Wang H and Ma Y 2011 Diam. Relat. Mater. 20 501
[79] Hu M, Zhao Z, Tian F, Oganov A R, Wang Q, Xiong M, Fan C, Wen B, He J, Yu D, Wang H T, Xu B and Tian Y 2013 Sci. Rep. 3 1331
[114] Riedel R, Greiner A, Miehe G, Dressler W, Fuess H, Bill J and Aldinger F 1997 Angew. Chem. Int. Ed. Engl. 36 603
[115] Chen L C, Chen K H, Wei S L, Kichambare P D, Wu J J, Lu T R and Kuo C T 1999 Thin Solid Films 355-356 112
[80] Zhao Z, Xu B, Wang L M, Zhou X F, He J, Liu Z, Wang H T and Tian Y 2011 ACS Nano 5 7226
[116] Cui L, Wang Q, Xu B, Yu D, Liu Z, Tian Y and He J 2013 J. Phys. Chem. C 117 21943
[81] Pan Y, Hu M, Ma M, Li Z, Gao Y, Xiong M, Gao G, Zhao Z, Tian Y, Xu B and He J 2017 Carbon 115 584
[117] Zhao Z, Xu L, Wang L M, Xu B, Wang M, Liu Z and He J 2011 Comput. Mater. Sci. 50 1592
[82] Hu M, Huang Q, Zhao Z, Xu B, Yu D and He J 2014 Diam. Relat. Mater. 46 15
[118] Deng S, Zhao J, Wei S, Zhu C, Lv J, Li Q and Zheng W 2016 RSC Adv. 6 73576
[83] Hu M, He J, Wang Q, Huang Q, Yu D, Tian Y and Xu B 2014 J. Superhard Mater. 36 257
[119] Zhao Z, Wang M, Cui L, He J, Yu D and Tian Y 2010 J. Phys. Chem. C 114 9961
[84] Hu M, Pan Y, Luo K, He J, Yu D and Xu B 2015 Carbon 91 518
[120] Zhao Z, Xu L, Wang M, Cui L, Wang L M, He J, Liu Z and Tian Y 2010 Phys. Status Solidi RRL-Rapid Res. Lett. 4 230
[85] Xiong M, Luo K, Yu D, Zhao Z, He J and Gao G 2017 J. Appl. Phys. 121 165106
[121] Zerr A, Miehe G and Riedel R 2003 Nat. Mater. 2 185
[86] Xiong M, Fan C, Zhao Z, Wang Q, He J, Yu D, Liu Z, Xu B and Tian Y 2014 J. Mater. Chem. C 2 7022
[122] Wang Q, Zhang Q, Hu M, Ma M, Xu B and Tian Y 2014 Phys. Chem. Chem. Phys. 16 22008
[87] Xiong M, Luo K, Pan Y, Liu L, Gao G, Yu D, He J, Xu B and Zhao Z 2018 J. Alloys Compd. 731 364
[123] Wang Q, Zhao Z, Xu L, Wang L M, Yu D, Tian Y and He J 2011 J. Phys. Chem. C 115 19910
[88] Guo X, Li L, Liu Z, Yu D, He J, Liu R, Xu B, Tian Y and Wang H T 2008 J. Appl. Phys. 104 023503
[124] Wang Y X, Arai M, Sasaki T and Fan C Z 2007 Phys. Rev. B 75 104110
[89] Xie C, Ma M, Liu C, Pan Y, Xiong M, He J, Gao G, Yu D, Xu B, Tian Y and Zhao Z 2017 J. Mater. Chem. C 5 5897
[125] Gou H, Dubrovinskaia N, Bykova E, Tsirlin A A, Kasinathan D, Schnelle W, Richter A, Merlini M, Hanfl, M, Abakumov A M, Batuk D, Van Tendeloo G, Nakajima Y, Kolmogorov A N and Dubrovinsky L 2013 Phys. Rev. Lett. 111 157002
[90] Zhang B 2016 J. Alloys Compd. 663 862
[126] He X L, Dong X, Wu Q, Zhao Z, Zhu Q, Oganov A R, Tian Y, Yu D, Zhou X F and Wang H T 2018 Phys. Rev. B 97 100102
[91] Mattesini M and Matar S F 2001 Int. J. Inorg. Mater. 3 943
[92] Tateyama Y, Ogitsu T, Kusakabe K, Tsuneyuki S and Itoh S 1997 Phys. Rev. B 55 R10161
[127] Kolmogorov A N, Shah S, Margine E R, Bialon A F, Hammerschmidt T and Drautz R 2010 Phys. Rev. Lett. 105 217003
[128] Niu H, Wang J, Chen X Q, Li D, Li Y, Lazar P, Podloucky R and Kolmogorov A N 2012 Phys. Rev. B 85 144116
[93] Zhou X F, Sun J, Qian Q R, Guo X, Liu Z, Tian Y and Wang H T 2009 J. Appl. Phys. 105 093521
[129] Zhang M, Lu M, Du Y, Gao L, Lu C and Liu H 2014 J. Chem. Phys. 140 174505
[94] Zhou X F, Sun J, Fan Y X, Chen J, Wang H T, Guo X, He J and Tian Y 2007 Phys. Rev. B 76 100101
[95] Li Y, Hao J, Liu H, Lu S and Tse J S 2015 Phys. Rev. Lett. 115 105502
[130] Wang Q, He J, Hu W, Zhao Z, Zhang C, Luo K, Lü Y, Hao C, Lü W, Liu Z, Yu D, Tian Y and Xu B 2015 J. Materiomics 1 45
[96] Teter D M and Hemley R J 1996 Science 271 53
[131] Li Q, Zhou D, Zheng W, Ma Y and Chen C 2015 Phys. Rev. Lett. 115 185502
[97] Liu A Y and Cohen M L 1990 Phys. Rev. B 41 10727
[132] Li Q, Zhou D, Zheng W, Ma Y and Chen C 2013 Phys. Rev. Lett. 110 136403
[98] Guo Q, Xie Y, Wang X, Lv S, Hou T and Liu X 2003 Chem. Phys. Lett. 380 84
[133] Liang Y, Yuan X and Zhang W 2011 Phys. Rev. B 83 220102
[99] Zinin P V, Ming L C, Sharma S K, Hong S M, Xie Y, Irifune T and Shinmei T 2008 J. Phys. Conf. Ser. 121 062002
[134] Qin Z, Gong W, Song X, Wang M, Wang H and Li Q 2018 RSC Adv. 8 35664
[100] Liu J, Sekine T and Kobayashi T 2006 Solid State Commun. 137 21
[135] Romans P A and Krug M P 1966 Acta Crystallogr. 20 313
[101] Liu A Y and Cohen M L 1989 Science 245 841
[136] Zhang R F, Legut D, Lin Z J, Zhao Y S, Mao H K and Veprek S 2012 Phys. Rev. Lett. 108 255502
[102] Li D, Shi J, Lai M, Li R and Yu D 2014 Phys. B Condens. Matter 449 90
[137] Zhao Z, Zhou X F, Wang L M, Xu B, He J, Liu Z, Wang H T and Tian Y 2011 Inorg. Chem. 50 9266
[138] Wang X, Bao K, Tian F, Meng X, Chen C, Dong B, Li D, Liu B and Cui T 2010 J. Chem. Phys. 133 044512
[103] Li Q, Liu H, Zhou D, Zheng W, Wu Z and Ma Y 2012 Phys. Chem. Chem. Phys. 14 13081
[139] Wang X 2012 J. Chem. Phys. 137 184506
[104] Zhang M, Wei Q, Yan H, Zhao Y and Wang H 2014 J. Phys. Chem. C 118 3202
[105] Stavrou E, Lobanov S, Dong H, Oganov A R, Prakapenka V B, Konôpková Z and Goncharov A F 2016 Chem. Mater. 28 6925
[106] Xu L, Zhao Z, Wang L M, Xu B, He J, Liu Z and Tian Y 2010 J. Phys. Chem. C 114 22688
[107] Zhang M, Liu H, Li Q, Gao B, Wang Y, Li H, Chen C and Ma Y 2015 Phys. Rev. Lett. 114 015502
[108] Liu H, Li Q, Zhu L and Ma Y 2011 Phys. Lett. A 375 771
[109] Ma M, Yang B, Hu M, Li Z, Wang Q, Cui L, Yu D and He J 2015 Phys. Chem. Chem. Phys. 17 9748
[110] Liu Z, He J, Yang J, Guo X, Sun H, Wang H T, Wu E and Tian Y 2006 Phys. Rev. B 73 172101
[111] Liu H, Li Q, Zhu L and Ma Y 2011 Solid State Commun. 151 716
[112] Xu L, Zhao Z, Wang Q, Wang L M, Xu B, He J and Tian Y 2011 J. Appl. Phys. 110 013501
[113] Li Q, Chen W, Xia Y, Liu Y, Wang H, Wang H and Ma Y 2011 Diam. Relat. Mater. 20 501
[114] Riedel R, Greiner A, Miehe G, Dressler W, Fuess H, Bill J and Aldinger F 1997 Angew. Chem. Int. Ed. Engl. 36 603
[115] Chen L C, Chen K H, Wei S L, Kichambare P D, Wu J J, Lu T R and Kuo C T 1999 Thin Solid Films 355-356 112
[116] Cui L, Wang Q, Xu B, Yu D, Liu Z, Tian Y and He J 2013 J. Phys. Chem. C 117 21943
[117] Zhao Z, Xu L, Wang L M, Xu B, Wang M, Liu Z and He J 2011 Comput. Mater. Sci. 50 1592
[118] Deng S, Zhao J, Wei S, Zhu C, Lv J, Li Q and Zheng W 2016 RSC Adv. 6 73576
[119] Zhao Z, Wang M, Cui L, He J, Yu D and Tian Y 2010 J. Phys. Chem. C 114 9961
[120] Zhao Z, Xu L, Wang M, Cui L, Wang L M, He J, Liu Z and Tian Y 2010 Phys. Status Solidi RRL-Rapid Res. Lett. 4 230
[121] Zerr A, Miehe G and Riedel R 2003 Nat. Mater. 2 185
[122] Wang Q, Zhang Q, Hu M, Ma M, Xu B and Tian Y 2014 Phys. Chem. Chem. Phys. 16 22008
[123] Wang Q, Zhao Z, Xu L, Wang L M, Yu D, Tian Y and He J 2011 J. Phys. Chem. C 115 19910
[124] Wang Y X, Arai M, Sasaki T and Fan C Z 2007 Phys. Rev. B 75 104110
[125] Gou H, Dubrovinskaia N, Bykova E, Tsirlin A A, Kasinathan D, Schnelle W, Richter A, Merlini M, Hanfl, M, Abakumov A M, Batuk D, Van Tendeloo G, Nakajima Y, Kolmogorov A N and Dubrovinsky L 2013 Phys. Rev. Lett. 111 157002
[126] He X L, Dong X, Wu Q, Zhao Z, Zhu Q, Oganov A R, Tian Y, Yu D, Zhou X F and Wang H T 2018 Phys. Rev. B 97 100102
[127] Kolmogorov A N, Shah S, Margine E R, Bialon A F, Hammerschmidt T and Drautz R 2010 Phys. Rev. Lett. 105 217003
[128] Niu H, Wang J, Chen X Q, Li D, Li Y, Lazar P, Podloucky R and Kolmogorov A N 2012 Phys. Rev. B 85 144116
[129] Zhang M, Lu M, Du Y, Gao L, Lu C and Liu H 2014 J. Chem. Phys. 140 174505
[130] Wang Q, He J, Hu W, Zhao Z, Zhang C, Luo K, Lü Y, Hao C, Lü W, Liu Z, Yu D, Tian Y and Xu B 2015 J. Materiomics 1 45
[131] Li Q, Zhou D, Zheng W, Ma Y and Chen C 2015 Phys. Rev. Lett. 115 185502
[132] Li Q, Zhou D, Zheng W, Ma Y and Chen C 2013 Phys. Rev. Lett. 110 136403
[133] Liang Y, Yuan X and Zhang W 2011 Phys. Rev. B 83 220102
[134] Qin Z, Gong W, Song X, Wang M, Wang H and Li Q 2018 RSC Adv. 8 35664
[135] Romans P A and Krug M P 1966 Acta Crystallogr. 20 313
[136] Zhang R F, Legut D, Lin Z J, Zhao Y S, Mao H K and Veprek S 2012 Phys. Rev. Lett. 108 255502
[137] Zhao Z, Zhou X F, Wang L M, Xu B, He J, Liu Z, Wang H T and Tian Y 2011 Inorg. Chem. 50 9266
[138] Wang X, Bao K, Tian F, Meng X, Chen C, Dong B, Li D, Liu B and Cui T 2010 J. Chem. Phys. 133 044512
[139] Wang X 2012 J. Chem. Phys. 137 184506
[1] A new transition metal diphosphide α-MoP2 synthesized by a high-temperature and high-pressure technique
Xiaolei Liu(刘晓磊), Zhenhai Yu(于振海), Jianfu Li(李建福), Zhenzhen Xu(徐真真), Chunyin Zhou(周春银), Zhaohui Dong(董朝辉), Lili Zhang(张丽丽), Xia Wang(王霞), Na Yu(余娜), Zhiqiang Zou(邹志强),Xiaoli Wang(王晓丽), and Yanfeng Guo(郭艳峰). Chin. Phys. B, 2023, 32(1): 018102.
[2] Site selective 5f electronic correlations in β-uranium
Ruizhi Qiu(邱睿智), Liuhua Xie(谢刘桦), and Li Huang(黄理). Chin. Phys. B, 2023, 32(1): 017101.
[3] Structural evolution and molecular dissociation of H2S under high pressures
Wen-Ji Shen(沈文吉), Tian-Xiao Liang(梁天笑), Zhao Liu(刘召), Xin Wang(王鑫), De-Fang Duan(段德芳), Hong-Yu Yu(于洪雨), and Tian Cui(崔田). Chin. Phys. B, 2022, 31(7): 076102.
[4] Isotropic negative thermal expansion and its mechanism in tetracyanidoborate salt CuB(CN)4
Chunyan Wang(王春艳), Qilong Gao(高其龙), Andrea Sanson, and Yu Jia(贾瑜). Chin. Phys. B, 2022, 31(6): 066501.
[5] Loss prediction of three-level amplified spontaneous emission sources in radiation environment
Shen Tan(谭深), Yan Li(李彦), Hao-Shi Zhang(张浩石), Xiao-Wei Wang(王晓伟), and Jing Jin(金靖). Chin. Phys. B, 2022, 31(6): 064211.
[6] Fast prediction of aerodynamic noise induced by the flow around a cylinder based on deep neural network
Hai-Yang Meng(孟海洋), Zi-Xiang Xu(徐自翔), Jing Yang(杨京), Bin Liang(梁彬), and Jian-Chun Cheng(程建春). Chin. Phys. B, 2022, 31(6): 064305.
[7] Traffic flow prediction based on BILSTM model and data denoising scheme
Zhong-Yu Li(李中昱), Hong-Xia Ge(葛红霞), and Rong-Jun Cheng(程荣军). Chin. Phys. B, 2022, 31(4): 040502.
[8] Temperature-dependent structure and magnetization of YCrO3 compound
Qian Zhao(赵前), Ying-Hao Zhu(朱英浩), Si Wu(吴思), Jun-Chao Xia(夏俊超), Peng-Fei Zhou(周鹏飞), Kai-Tong Sun(孙楷橦), and Hai-Feng Li(李海峰). Chin. Phys. B, 2022, 31(4): 046101.
[9] Boron at tera-Pascal pressures
Peiju Hu(胡佩菊), Junhao Peng(彭俊豪), Xing Xie(谢兴), Minru Wen(文敏儒),Xin Zhang(张欣), Fugen Wu(吴福根), and Huafeng Dong(董华锋). Chin. Phys. B, 2022, 31(3): 036301.
[10] RNAGCN: RNA tertiary structure assessment with a graph convolutional network
Chengwei Deng(邓成伟), Yunxin Tang(唐蕴芯), Jian Zhang(张建), Wenfei Li(李文飞), Jun Wang(王骏), and Wei Wang(王炜). Chin. Phys. B, 2022, 31(11): 118702.
[11] Pressure-induced phase transition in transition metal trifluorides
Peng Liu(刘鹏), Meiling Xu(徐美玲), Jian Lv(吕健), Pengyue Gao(高朋越), Chengxi Huang(黄呈熙), Yinwei Li(李印威), Jianyun Wang(王建云), Yanchao Wang(王彦超), and Mi Zhou(周密). Chin. Phys. B, 2022, 31(10): 106104.
[12] Probing structural and electronic properties of divalent metal Mgn+1 and SrMgn (n = 2–12) clusters and their anions
Song-Guo Xi(奚松国), Qing-Yang Li(李青阳), Yan-Fei Hu(胡燕飞), Yu-Quan Yuan(袁玉全), Ya-Ru Zhao(赵亚儒), Jun-Jie Yuan(袁俊杰), Meng-Chun Li(李孟春), and Yu-Jie Yang(杨雨杰). Chin. Phys. B, 2022, 31(1): 016106.
[13] Structural and electrical transport properties of charge density wave material LaAgSb2 under high pressure
Bowen Zhang(张博文), Chao An(安超), Xuliang Chen(陈绪亮), Ying Zhou(周颖), Yonghui Zhou(周永惠), Yifang Yuan(袁亦方), Chunhua Chen(陈春华), Lili Zhang(张丽丽), Xiaoping Yang(杨晓萍), and Zhaorong Yang(杨昭荣). Chin. Phys. B, 2021, 30(7): 076201.
[14] Structure and magnetic properties of RAlSi (R=light rare earth)
Tai Wang(王泰), Yongquan Guo(郭永权), and Cong Wang(王聪). Chin. Phys. B, 2021, 30(7): 075102.
[15] Structural modulation and physical properties of cobalt-doped layered La2M5As3O2 (M= Cu, Ni) compounds
Lei Yang(杨蕾), Yan-Peng Song(宋艳鹏), Jun-Jie Wang(王俊杰), Xu Chen(陈旭), Hui-Jing Du(杜会静), and Jian-Gang Guo(郭建刚). Chin. Phys. B, 2021, 30(7): 076106.
No Suggested Reading articles found!
Authors
  • Submit an article
  • Manuscript tracking
  • Call for papers
  • Scope
  • Instruction for authors
  • Copyright agreement
  • Templates
  • PACS
  • Flow chart
  • Author FAQs
    • Referees
  • Review policy
  • Referee login
  • Referee FAQs
  • Editor in chief login
  • Editor login
  • Office login
    • Browse
  • In press
  • Current issue
  • Previous issues
  • Special topics
  • Author index
  • Highlights
  • Annual highlights
  • View by fields
  • Top downloaded
  • SCI top cited
    • About
  • About CPB
  • Editorial board
  • Editorial Board of Young Scientists
  • SCI IF
  • Staff
  • Contact us
    • Copyright © Editorial Office of Chinese Physics B, All Rights Reserved.
    • Tel: 010-82649026   Fax: 010-82649027   E-mail: cpb@aphy.iphy.ac.cn
    • Sponsored by Institute of Physics, CAS & Chinese Physical Society
      Collaborating with IOP Publishing, UK in distribution