Computational investigation of stable formation condition for FexNi1?x alloy films on paramagnetic substrate

International Conference on Computer Simulation in Physics and Beyond 2015

物理学;计算机科学

Mamonova, Marina V.^1 ; Prudnikov, Vladimir V.^1 ; Pilipenko, Dmitrii V.^1

Department of Theoretical Physics, Omsk State University, Omsk

644077, Russia^1

关键词: Adsorption process;    Close-packed surfaces;    Computational investigation;    Energy characteristics;    Equilibrium value;    Ferromagnetic films;    Formation condition;    Nonmagnetic metals;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/681/1/012039/pdf
DOI  :  10.1088/1742-6596/681/1/012039

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

The adsorption process of ultrathin ferromagnetic Fe and Ni alloy film on a nonmagnetic metal substrate is studied by the variational spin-density functional method. The conditions for the stable formation of ferromagnetic films with respect to island adsorption are discovered with a change of values of the coverage parameter and alloy component concentration. The equilibrium values of vacuum gap and film thickness are determined from the minimum of the total interfacial energy. The energy characteristics of films FexNi1-xon close-packed surfaces W, Cu and Ag with effects of magnetic ordering are calculated for different temperatures.