Z-BN: a novel superhard boron nitride phase

A superhard boron nitride phase dubbed as Z-BN is proposed as a possible intermediate phase between h-BN and zinc blende BN (c-BN), and investigated using first-principles calculations within the framework of density functional theory. Although the structure of Z-BN is similar to that of bct-BN cont...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2012-08, Vol.14 (31), p.1967-1971
Hauptverfasser:	He, Chaoyu, Sun, Lizhong, Zhang, Chunxiao, Peng, Xiangyang, Zhang, Kaiwang, Zhong, Jianxin
Format:	Artikel
Sprache:	eng
Schlagworte:	Boron nitride Chemistry Compressing Density functional theory Exact sciences and technology General and physical chemistry Insulators Mathematical analysis Stacking Vickers hardness Zinc
Online-Zugang:	Volltext
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