Magnetism in Ultrathin Pt Films Formed on MgO(001) Surfaces: An Ab-initio Study

被引:4
|
作者
Yang, Lan-Hee [1 ]
Park, Jinwoo [1 ]
Yu, B. D. [1 ]
Jang, Young-Rok [2 ]
机构
[1] Univ Seoul, Dept Phys, Seoul 130743, South Korea
[2] Univ Incheon, Dept Phys, Inchon 402749, South Korea
基金
新加坡国家研究基金会;
关键词
Pt monolayer; MgO(001) sufaces; Adsorption structures; Ferromagnetism; TRANSITION-METAL ATOMS; DENSITY-FUNCTIONAL CALCULATIONS; CERAMIC INTERFACES; ELECTRONIC-STRUCTURES; TOTAL-ENERGY; ADSORPTION; PSEUDOPOTENTIALS; FORMALISM; VACANCIES; ADHESION;
D O I
10.3938/jkps.56.791
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Ab-initio electronic-structure calculations have been performed to investigate the adsorption structures, the energetics, and the electronic structures of a PC monolayer (ML) deposited on a MgO(001) surface. Our calculations for a 1-ML Pt/MgO(001) structure show that the Pt atoms highly prefer to bind on the oxygen sites of the MgO(001) surfaces. Also examined were the electronic properties of 1-ML Pt/MgO(001,). Interestingly, the oxide-supported ultrathin 1-ML Pt film was predicted to be ferromagnetic with a magnetic moment of 0.89 Bohr magnetons. In addition, the origin of the unusual magnetism in 1-ML Pt/MgO(001) was discussed in comparison with calculations for a freestanding Pt monolayer.
引用
收藏
页码:791 / 795
页数:5
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