Advanced   Register
IMR OpenIR  > 中国科学院金属研究所  > 期刊论文

题名: The electronic and mechanical properties of tetragonal YB2C as explored by first-principles methods
作者: Ma, Huannan;  Mi, Guofa;  Cheng, Xiyue;  Liu, Chen;  Li, Dianzhong;  Li, Yiyi;  Xu, Lei;  Chen, Xing-Qiu
发表日期: 2017-12-5
摘要: By means of the first-principles calculations, the lattice parameters, electronic structures, phonon dispersions, and mechanical properties of the rare earth metal borocarbide YB2C have been theoretically investigated. The dynamically stability of the layered tetragonal YB2C has been evidenced based on the frozen phonon method. We have found that the covalent bonding between B-2p, C-2p and Y-5d orbitals are responsible for the strong interlayer interactions based on the calculated electronic structures and ELF images. The estimated hardness of P4(2)/mbc-YB2C is around 23.46 GPa which is comparable with the well-known ultra-incompressible (o)P6-OsB2. Additionally, the analysis of the ideal shear and tensile strength of YB2C reveals the importance of covalent bonds between Y and B/C layer which help to enhance the resistance under deformation. (C) 2017 Elsevier B.V. All rights reserved.
刊名: ELSEVIER SCIENCE SA
Appears in Collections:中国科学院金属研究所_期刊论文

Files in This Item:

There are no files associated with this item.




Recommended Citation:
Ma, Huannan,Mi, Guofa,Cheng, Xiyue,et al. The Electronic And Mechanical Properties Of Tetragonal Yb2c As Explored By First-principles Methods[J]. Elsevier Science Sa,2017,726:173-178.

SCI Citaion Data:
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Ma, Huannan]'s Articles
 [Mi, Guofa]'s Articles
 [Cheng, Xiyue]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Ma, Huannan]‘s Articles
 [Mi, Guofa]‘s Articles
 [Cheng, Xiyue]‘s Articles
Scirus search
 Similar articles in Scirus
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Copyright © 2007-2018  中国科学院金属研究所  -Feedback
Powered by CSpace