Confinement-induced changes in magnetic behavior of a Ti monolayer on Pt

被引：6
|
作者：
Ramirez-Caballero, Gustavo E. [1 ,2 ,3 ]
Balbuena, Perla B. [1 ,2 ]
机构：
[1] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA
[2] Texas A&M Univ, Mat Sci & Engn Program, College Stn, TX 77843 USA
[3] Univ Ind Santander, Dept Ingn Quim, Bucaramanga, Colombia
来源：
CHEMICAL PHYSICS LETTERS | 2011年 / 507卷 / 1-3期
关键词：
TRANSITION-METAL MONOLAYERS; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; FERROMAGNETISM; 3D;
D O I：
10.1016/j.cplett.2011.03.047
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Density functional theory is used to examine the magnetic properties of a Ti monolayer over Pt when is brought in contact with a Pt surface, at distances of 4-12 angstrom. The average magnetic moment of the Ti film decreases sharply as the surface-surface separation decreases, coincident with migration of surface electrons towards the gap, surface d-band broadening, and decrease of the density of states at the Fermi level. The phenomenon is analyzed using the Stoner criterion that correlates the ferromagnetic behavior with exchange splitting and density of states at the Fermi level obtained from a paramagnetic calculation. (C) 2011 Elsevier B.V. All rights reserved.
引用
收藏
页码：117 / 121
页数：5
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