国家自然科学基金(s11104190)

作品数：2被引量：2H指数：1
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Pressure-induced structural transition and thermodynamic properties of RhN_2 and the effect of metallic bonding on its hardness被引量：2
《Chinese Physics B》2012年第8期343-350,共8页刘俊 邝小渝 王振华 黄肖芬 
Project supported by the Doctoral Education Fund of the Education Ministry of China (Grant No. 20100181110086);the National Natural Science Foundation of China (Grant Nos. 11104190 and 10974138)
The elastic constant, structural phase transition, and effect of metallic bonding on the hardness of RhN2 under high pressure are investigated through the first-principles calculation by means of the pseudopotential p...
关键词：phase transition ELASTICITY HARDNESS 
A density functional theory study on size-dependent structures,stabilities,and electronic properties of bimetallic M_nAg_m(M=Na,Li;n + m≤7) clusters
《Chinese Physics B》2012年第8期206-214,共1页孙浩然 邝小渝 李艳芳 邵鹏 赵亚儒 
Project supported by the Doctoral Education Fund of the Education Ministry of Chain (Grant No. 20100181110086);the National Natural Science Foundation of China (Grant Nos. 11104190 and 10974138).
The equilibrium geometries,relative stabilities,and electronic properties of Mn Agm(M=Na,Li;n + m ≤ 7) as well as pure Ag n,Na n,Li n(n ≤ 7) clusters are systematically investigated by means of the density functiona...
关键词：Mn Agm(M=Na Li) clusters density functional theory relative stability 
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