Semiempirical Potentials for Pt/Cu(100) Surface Alloy Investigation

被引：0

作者：

Dokukin, S. A. ^{[1
]}

Kolesnikov, S., V ^{[1
]}

Saletsky, A. M. ^{[1
]}

Klaysyuk, A. L. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Fac Phys, Moscow 119991, Russia

来源：

STATE-OF-THE ART TRENDS OF SCIENTIFIC RESEARCH OF ARTIFICIAL AND NATURAL NANOOBJECTS (STRANN-2018) | 2019年 / 2064卷

关键词：

ELECTRON-GAS; CU(100); GROWTH; DYNAMICS; HYDROGEN; DENSITY; ENERGY; FILMS;

D O I：

10.1063/1.5087665

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

In this paper we present universal parameters of the second moment approximation to the tight-binding potentials for the Pt/Cu(111) and Pt/Cu(100) systems. The parameters are fitted and tested with both experimental and ab initio data. Potentials well reproduce values of bulk characteristics of Cu and Pt and also a lot of characteristic energies and diffusion barriers of considered systems. Calculated values of diffusion barriers predict the behavior which qualitatively agrees with the experimental results.

引用

页数：7

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