首页> 外文OA文献 >New Superhard Carbon Phases Between Graphite and Diamond
【2h】

New Superhard Carbon Phases Between Graphite and Diamond

机译:石墨与金刚石之间的新超硬碳相

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

Two new carbon allotropes (H-carbon and S-carbon) are proposed, as possiblecandidates for the intermediate superhard phases between graphite and diamondobtained in the process of cold compressing graphite, based on the results offirst-principles calculations. Both H-carbon and S-carbon are more stable thanpreviously proposed M-carbon and W-carbon and their bulk modulus are comparableto that of diamond. H-carbon is an indirect-band-gap semiconductor with a gapof 4.459 eV and S-carbon is a direct-band-gap semiconductor with a gap of 4.343eV. The transition pressure from cold compressing graphite is 10.08 GPa and5.93 Gpa for H-carbon and S-carbon, respectively, which is in consistent withthe recent experimental report.
机译:根据第一性原理的计算结果,提出了两种新的碳同素异形体(H-碳和S-碳),作为在冷压缩石墨过程中获得的石墨和金刚石之间的中间超硬相的可能候选。 H-碳和S-碳都比以前提出的M-碳和W-碳更稳定,其体积模量与金刚石相当。 H-碳是间隙带为4.459eV的间接带隙半导体,S-碳是间隙带为4.343eV的直接带隙半导体。 H-碳和S-碳的冷压缩石墨的转变压力分别为10.08 GPa和5.93 Gpa,这与最近的实验报告一致。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号