MAGNETISM OF A V MONOLAYER ON Nb(001): A FIRST PRINCIPLES CALCULATION

被引：0
|
作者：
Ramanathan, A. A. [1 ]
Khalifeh, J. M. [1 ]
机构：
[1] Univ Jordan, Dept Phys, Amman 11942, Jordan
来源：
TMS 2010 139TH ANNUAL MEETING & EXHIBITION - SUPPLEMENTAL PROCEEDINGS, VOL 3: GENERAL PAPER SELECTIONS | 2010年
关键词：
Vanadium; Niobium; DFT; GGA; monolayer; relaxed; ELECTRONIC-STRUCTURE; SURFACE MAGNETISM; OVERLAYERS; MO;
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Thin slab calculations using the density functional theory and norm-conserving pseudopotentials, show a p(1x1) in-plane ferromagnetic ordering with a large magnetic moment of 2.5 mu(B) for the relaxed V monolayer in the V/Nb(001) system. The results have been obtained by performing a complete geometrical optimization of the system with the GGA exchange and correlation functional. The V surface moment is comparable to those obtained with noble metal substrates and removes any doubts about the magnetism of this system. The niobium interfacial layer has a small induced moment and couples anti-ferromagnetically (AF) with the V ML and the Nb layers below.
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页码：63 / 68
页数：6
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