A new family of sp3-hybridized carbon phases

doi:10.1088/1674-1056/25/1/016103

Abstract A new family of superhard carbon allotropes C48(2i+1) is constructed by alternating even 4 and 8 membered rings. These new carbon allotropes are of a spatially antisymmetrical structure, compared with the symmetrical structures of bct-C4, Z-carbon, and P-carbon. Our calculations show that bulk moduli of C48(2i+1) are larger than that of c-BN and smaller than that of cubic-diamond. C48(2i+1) are transparent superhard materials possessing large Vicker hardness comparable to diamond. This work can help us understand the structural phase transformations of cold-compression graphite and carbon nanotubes.

Keywords: low-temperature phase transformation superhard carbon phase

Received: 24 April 2015
Revised: 06 September 2015
Accepted manuscript online:

PACS:	61.66.Bi	(Elemental solids)
	61.50.Ks	(Crystallographic aspects of phase transformations; pressure effects)
	62.50.-p	(High-pressure effects in solids and liquids)
	78.30.Am	(Elemental semiconductors and insulators)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11174242, 11204265, 11404278, 11147007, and 11274151), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK2012248), and the Scientific Research Foundation of Yancheng Institute of Technology, China (Grant No. KJC2014024).

Corresponding Authors: Ning Xu
E-mail: nxu@ycit.cn

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Ning Xu(徐宁), Jian-Fu Li(李建福), Bo-Long Huang(黄勃龙), Bao-Lin Wang(王保林) A new family of sp³-hybridized carbon phases 2016 Chin. Phys. B 25 016103

[1]	Kaner R B, Gilman J J and Tolbert S H 2005 Science 308 1268
[2]	Li K Y, Wang X T, Zhang F F and Xue D F 2008 Phy. Rev. Lett. 100 235504
[3]	Irifune T, Kurio A, Sakamoto S, Inoue T and Sumiya H 2003 Nature 421 599
[4]	Utsumi W and Yagi T 1991 Science 252 1542
[5]	Hanfland M, Syassen K and Sonnenschein R 1989 Phys. Rev. B 40 1951
[6]	Yagi T, Utsumi W, Yamakata M A, Kikegawa T and Shimomura O 1992 Phys. Rev. B 46 6031
[7]	Takano K J, Harashima H and Wakatsuki M 1991 Jpn. J. Appl. Phys. 30 L860
[8]	Zhao Y X and Spain I L 1989 Phys. Rev. B 40 993
[9]	Mao W L, Mao H K, Eng P J, Trainor T P, Newville M, Kao C C, Heinz D L, Shu J, Meng Y and Hemley R J 2003 Science 302 425
[10]	Hanfland M, Beister H and Syassen K 1989 Phys. Rev. B 39 12598
[11]	Goncharov A F, Makarenko I N and Stishov S M 1989 Sov. Phys. JETP 69 380
[12]	Bundy F P 1967 J. Chem. Phys. 46 3437
[13]	Utsumi W and Yagi T 1991 Science 252 1542
[14]	Xu N, Li J F, Huang B L, Wang B L and Wang X L 2015 Materials Research Express 2 045601
[15]	Wang Z W, Zhao Y S, Tait K, Liao X Z, Schiferl D, Zha C S, Downs R T, Qian J, Zhu Y T and Shen T D 2004 Proc. Natl. Acad. Sci. 101 13699
[16]	Tang J, Qin L C, Sasaki T, Yudasaka M, Matsushita A and Iijima S 2000 Phys. Rev. Lett. 85 1887
[17]	Khabashesku V N, Gu Z N, Brinson B, Zimmerman J L and Margrave J L 2002 J. Phys. Chem. B 106 11155
[18]	Popov M, Kyotani M, Nemanich R J and Koga Y 2002 Phys. Rev. B 65 033408
[19]	Popov M, Kyotani M and Koga Y 2003 Diam. Relat. Mater. 12 833
[20]	Bucknum M J and Castro E A 2006 J. Chem. Theory Comput. 2 775
[21]	Kumar R S, Pravica M G, Cornelius A L, Nicol M F, Hu M Y and Chow P C 2007 Diam. Relat. Mater. 16 1250
[22]	Li Q, Ma Y M, Oganov A R, Wang H B, Wang H, Xu Y, Cui T, Mao H K and Zou G T 2009 Phys. Rev. Lett. 102 175506
[23]	Oganov A R and Glass C W 2006 J. Chem. Phys. 124 244704
[24]	Selli D, Baburin I A, Martonnak R and Leoni S 2011 Phys. Rev. B 84 161411
[25]	Amsler M, Flores-Livas J A, Lehtovaara L, Balima F, Ghasemi S A, Machon D, Pailhés S, Willand A, Caliste D, Botti S, San Miguel A, Goedecker S and Marques M A 2012 Phys. Rev. Lett. 108 065501
[26]	Zhao Z S, Xu B, Zhou X F, Wang L M, Wen B, He J L, Liu Z Y, Wang H T and Tian Y J 2011 Phys. Rev. Lett. 107 215502
[27]	Wang J T, Chen C F and Kawazoe Y 2011 Phys. Rev. Lett. 106 075501
[28]	Umemoto K, Wentzcovitch R M, Saito S and Miyake T 2010 Phys. Rev. Lett. 104 125504
[29]	Niu H Y, Chen X Q, Wang S B, Li D Z, Mao W L and Li Y Y 2012 Phys. Rev. Lett. 108 135501
[30]	Zhou R L and Zeng X C 2012 J. Am. Chem. Soc. 134 7530
[31]	Xu N, Li J F, Huang B L, and Wang B L and Wang X L 2015 Mater. Res. Express 2 045601
[32]	Kresse G and Fürthmuller J 1996 Phys. Rev. B 54 11169
[33]	Blochl P E 1994 Phys. Rev. B 50 17953
[34]	Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
[35]	Clark S J, Segall M D, Pickard C J, Hasnip P J, Probert M I J, Refson K and Payne M C 2005 Z. Kristallogr 220 567
[36]	Occelli F, Loubeyre P and Letoullec R 2003 Nat. Mater. 2 151
[37]	Gao F, He J, Wu E, Liu S, Yu D, Li D, Zhang S and Tian Y 2003 Phys. Rev. Lett. 91 015502
[38]	Chen X Q, Niu H Y, Li D Z and Li Y Y 2011 Intermetallics 19 1275
[39]	Xu N, Li J F, Huang B L, Wang B L and Wang X L 2015 Mater. Res. Express 2 045601

[1]	Low-temperature phase transformation from nanotube to sp³ superhard carbon phase Xu Ning (徐宁), Li Jian-Fu (李建福), Huang Bo-Long (黄勃龙), Wang Bao-Lin (王保林). Chin. Phys. B, 2015, 24(6): 066102.

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A new family of sp3-hybridized carbon phases

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A new family of sp³-hybridized carbon phases