所属单位：

理学院

发表刊物：

Canadian Jounal of Physics

关键字：

中文关键字：锗烯;电子结构;吸附;第一性原理，英文关键字：germanene;electronic structures;adsorption;first-p

摘要：

First-principles calculations were performed to study the adsorption characteristics of 15 different metal atoms on germanene. For the alkali metal adatoms (Li, Na, and K) on germanene, the bonding is approximately ideal ionic and the semimetallic germanene finally becomes metallic with a small band gap opening at the Dirac point. The bonding of alkaline earth metal atoms (Be, Mg, and Ca) to germanene is a mixture of ionic and covalent. The Be and Mg adsorptions lead to semiconducting behavior in germanene, while similar to Li, Na, and K adsorptions, the Ca adsorbed germanene is metallic. For most transition metal adatoms, a strong covalent bonding behavior is found between the adatom and germanene layer, which causes much larger distortions in the germanene lattice. As a result of partially occupied d orbital, the transition metals show also diverse electronic structures when interacting with germanene, such as nonmagnetic metal, nonmagnetic semiconductor,ferromagnetic metal, ferromagnetic semiconductor, and more particularly, ferromagnetic half-metal. In addition, the analysisof the partial density of states indicates that the ferromagnetic property of the obtained transition metal – germanene systems mainly results from the spin-split of the adatom 3d states. The rich electronic and magnetic properties of metal–germanenesystems may have potential applications for designing new nanoscale electronic and spintronic devices.

备注：

SCI 四区

合写作者：

Yu-lingSong

第一作者：

张春玲,张琳丽,李隆,庞庆

论文类型：

期刊论文

卷号：

卷：93

期号：

期：11

页面范围：

页：1310-1318

是否译文：

否

发表时间：

2015-11-01