四川大学学报（自然科学版）2017，Vol.54Issue(5)：1026-1028,3.DOI:10.3969/j.issn.0490-6756.2017.05.022
Cu掺杂ZnS纳米线结构和磁性质
Structures and magnetic properties of Cu-doped ZnS nanowires
摘要
Abstract
The electronic and magnetic properties of ZnS nanowires doped with Cu atoms are comparatively studied in terms of the first-principles calculation.The formation energies of doped nanowires are smaller than that of the pristine one,indicating that the doing process is an exothermic reaction.The calculation shows Cu atom preferring to the surface position.The electronic structures show that ZnS doped with Cu atoms are the half-metallic ferromagnetic semiconductors and have important applications in spintronics.关键词
纳米线/电子性质/磁性质/密度泛函理论Key words
Nanowire/Electronic property/Magnetic property/Density functional theory分类
数理科学引用本文复制引用
李俊生,谢建明,庄国策..Cu掺杂ZnS纳米线结构和磁性质[J].四川大学学报（自然科学版）,2017,54(5):1026-1028,3.基金项目
国家自然科学基金(11404279,11247235,11547263) （11404279,11247235,11547263）
江苏省青蓝项目 （）
