Adsorption of 3d, 4d, and 5d transition metal atoms on β12-Borophene

被引：19

作者：

Alvarez-Quiceno, J. C. ^{[1
]}

Schleder, G. R. ^{[1
]}

Marinho, E., Jr. ^{[1
]}

Fazzio, A. ^{[1
,2
]}

机构：

[1] Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210170 Santo Andre, SP, Brazil

[2] Brazilian Nanotechnol Natl Lab LNNano CNPEM, POB 6192, BR-13083970 Campinas, SP, Brazil

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2017年 / 29卷 / 30期

基金：

巴西圣保罗研究基金会;

关键词：

borophene; transition metals; adsorption; BORON-NITRIDE; BOROPHENE; GRAPHENE; MOS2; TRANSISTORS;

D O I：

10.1088/1361-648X/aa75f0

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We perform an ab initio study of the electronic structure and magnetic properties of 3d, 4d and 5d transition metals (TM) adsorbed on freestanding and Ag(111)-supported beta(12)-borophene. The stability of TM adsorption is high for all atoms and increases with the period. For the 3d TM adsorption we observed strong exchange effects. The Ag(111)-surface induced small effects on the calculated properties. Studying the magnetic interaction between TMs, VIB atoms showed direct exchange, while VIIB and Fe showed 2p(B)-mediated indirect exchange. In the ultimate case of a one-dimensional TM array, Ru and Os also show direct exchange effects.

引用

页数：6

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