文献类型：会议论文

英文题名：Electronic and magnetic properties of NinAl (n=2-13) clusters

作者：Song, Wei[1];Wang, Bin[1];Guo, Kai[2];He, Chaozheng[3]

第一作者：宋薇

通讯作者：Song, W[1]

机构：[1]Xinxiang Univ, Dept Phys & Elect Engn, Xinxiang, Henan, Peoples R China;[2]Shale Oil Plant Fushun Min Grp Co Ltd, Fushun, Peoples R China;[3]Nanyang Normal Univ, Phys & Elect Engn Coll, Nanyang, Peoples R China

第一机构：新乡学院物理与电子工程学院

通讯机构：[1]corresponding author), Xinxiang Univ, Dept Phys & Elect Engn, Xinxiang, Henan, Peoples R China.|[110717]新乡学院物理与电子工程学院;[11071]新乡学院;

会议论文集：3rd International Conference on Energy Science and Applied Technology (ESAT)

会议日期：JUN 25-26, 2016

会议地点：Wuhan, PEOPLES R CHINA

语种：英文

外文关键词：first-principle; magnetic properties; ionization potentials; electron affinities

摘要：Using the density functional theory calculations with the PBE exchange-correlation energy function, we have studied the electronic properties including binding energy, magnetic property, ionization potential, and electron affinity for adsorbing an aluminum atom into Ni-n (n = 2-13) neutral and ionic clusters.