Superconductivity at 28 K in CaB3C3 predicted from first-principles

被引：6

作者：

Chen, Wanjin ^{[1
]}

机构：

[1] Jilin Normal Univ, Coll Phys, Siping 136000, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2013年 / 114卷 / 17期

关键词：

GRAPHITE-LIKE MATERIAL; THIN-FILMS; BC3; DIAMOND; TEMPERATURE; SOLIDS; CARBON;

D O I：

10.1063/1.4829458

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The structural parameters, electronic properties, and superconducting state in the graphite-like BxC1-x intercalation compound, CaB3C3, have been studied using pseudopotential density functional theory within the generalized gradient approximation. Electronic and electron-phonon coupling calculations reveal that CaB3C3 is hole conducting and superconducting with critical temperature 28.2K, which is much higher than that of CaC6 (11.5K). The excellent superconducting state in CaB3C3 stems from the simultaneous presence of highly mobile and extremely confined conduction electrons, which enhances electron pairing and superconductivity. The current calculations might stimulate further theoretical and experimental investigation in search of new superconducting states in graphite-like BxC1-x intercalated compounds. (c) 2013 AIP Publishing LLC.

引用

页数：3

共 37 条

[31] Superconductive sodalite-like clathrate calcium hydride at high pressures [J].

Wang, Hui ;

Tse, John S. ;

Tanaka, Kaori ;

Iitaka, Toshiaki ;

Ma, Yanming .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2012, 109 (17) :6463-6466

[32] Stability and charge transfer of C3B ordered structures [J].

Wang, Q ;

Chen, LQ ;

Annett, JF .

PHYSICAL REVIEW B, 1996, 54 (04) :R2271-R2275

[33] PREPARATION AND CHARACTERIZATION OF BXC1-X THIN-FILMS WITH THE GRAPHITE STRUCTURE [J].

WAY, BM ;

DAHN, JR ;

TIEDJE, T ;

MYRTLE, K ;

KASRAI, M .

PHYSICAL REVIEW B, 1992, 46 (03) :1697-1702

[34] Superconductivity in the intercalated graphite compounds C6Yb and C6Ca [J].

Weller, TE ;

Ellerby, M ;

Saxena, SS ;

Smith, RP ;

Skipper, NT .

NATURE PHYSICS, 2005, 1 (01) :39-41

[35] Phonon dispersion curves of a BC3 honeycomb epitaxial sheet -: art. no. 177003 [J].

Yanagisawa, H ;

Tanaka, T ;

Ishida, Y ;

Matsue, M ;

Rokuta, E ;

Otani, S ;

Oshima, C .

PHYSICAL REVIEW LETTERS, 2004, 93 (17) :177003-1

[36] Crystal and electronic structure of superhard BC5: First-principles structural optimizations [J].

Yao, Yansun ;

Tse, John S. ;

Klug, Dennis D. .

PHYSICAL REVIEW B, 2009, 80 (09)

[37] Pressure-Induced Superconductivity in SnTe: A First-Principles Study [J].

Zhou, Dan ;

Li, Quan ;

Ma, Yanming ;

Cui, Qiliang ;

Chen, Changfeng .

JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 117 (23) :12266-12271

← 1 2 3 4 →