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	Half-metallic ferromagnetism and electronic structures in zinc blende YC: The first-principles calculations 期刊论文 OAI收割 Journal of Magnetism and Magnetic Materials, 2014, 卷号: 368, 页码: 44-48 Q. Wu; Z. L. Wang; S. W. Fan; K. L. Yao 收藏 \| 浏览/下载：36/0 \| 提交时间：2015/01/14 Half-metallicity Electronic structure Cohesive energy nacl-type structure cohesive properties epitaxial-growth semiconductors nitrides carbides magnets ge sb si
	Pressure-induced structural phase transition and electronic properties of RESb (RE = Ho, Er and Tm) compounds: ab initio calculations 期刊论文 OAI收割 PHASE TRANSITIONS, 2011, 卷号: 84, 期号: 7, 页码: 603-612 Sahu, AK; Singh, A; Jha, PK; Sanyal, SP 收藏 \| 浏览/下载：24/0 \| 提交时间：2013/05/17 NACL-TYPE STRUCTURE 1ST-PRINCIPLES CERIUM LANTHANIDE PNICTIDES BEHAVIOR LN
	Structural, mechanical and electronic properties of 4d transition metal mononitrides by first-principles 期刊论文 OAI收割 computational materials science, 2010, 卷号: 47, 期号: 4, 页码: 1064-1071 Zhao EJ; Wang JP; Meng J; Wu ZJ 收藏 \| 浏览/下载：17/0 \| 提交时间：2012/06/07 NACL-TYPE STRUCTURE 1ST PRINCIPLES COHESIVE PROPERTIES PHASE-TRANSFORMATION MOLYBDENUM NITRIDES MAGNETIC-PROPERTIES SUPERHARD MATERIALS ELASTIC-CONSTANTS SINGLE-CRYSTAL CARBIDES
	Electronic and mechanical properties of 5d transition metal mononitrides via first principles 期刊论文 OAI收割 journal of solid state chemistry, 2008, 卷号: 181, 期号: 10, 页码: 2814-2817 Zhao EJ; Wu ZJ 收藏 \| 浏览/下载：150/30 \| 提交时间：2010/04/14 NACL-TYPE STRUCTURE TANTALUM NITRIDE COHESIVE PROPERTIES THIN-FILMS 1ST-PRINCIPLES CALCULATIONS ELASTIC PROPERTIES HAFNIUM NITRIDE CARBIDES TAN PRESSURE
	First principles study of structural phase transition of YSb and ScSb compounds 期刊论文 OAI收割 Solid State Communications, 2007, 卷号: 141, 期号: 7, 页码: 359-364 Z. J. Chen; H. Y. Xiao; X. T. Zu 收藏 \| 浏览/下载：24/0 \| 提交时间：2012/04/13 crystal binding and equation of state electronic band structure phase transition nacl-type structure high-pressures pseudopotentials state