Superconducting ultraincompressible hard cubic Re4C
A synthesized cubic rhenium carbide has been reported to be rock salt structured Re-C (NaCl-ReC).However,our calculations indicate that not only does NaCl-ReC have larger lattice parameters than those found in experiments,it is also mechanically unstable at the ground state.In order to determine the optimal structure,rhenium carbides with different atomic stoichiometries are considered.According to the experimental data,a stable Fe4N structured Re4C (Fe4N-Re4C) for synthesized cubic rhenium carbide that is superconducting,ultraincompressible and hard is determined.
First-principle calculation Structural properties Electronic properties Elastic properties
Zhisheng Zhao Lifang Xu Li-Min Wang Bo Xu Meng Wang Zhongyuan Liu Julong He
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004,PR China
国际会议
南京
英文
712-716
2012-05-13（万方平台首次上网日期，不代表论文的发表时间）