First-principle study on the structural, elastic and electronic properties of CrB₄ hard material under different pressures

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• 作者：Xiao-Hong Li^a ; ^b ; ^c ; ^{lorna639@126.com} ; Rui-Zhou Zhang^a
• 关键词：First-principles calculation ; Electronic structure ; Elastic constants ; CrB4 ; Pressure
• 刊名：Journal of Alloys and Compounds
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：694
• 期：Complete
• 页码：733-738
• 全文大小：868 K
• 卷排序：694

文摘

B-axis is the least compressible because of the formation of boron-atom frameworks. No band gap exists in the band structure and CrB4 has the metallic character. oP10-CrB4 behaves in a brittle manner within the given pressure range.