Structure and dynamics at the Pt(100)-surface

被引：0
|
作者：
Wachter, A
Bohnen, KP
Ho, KM
机构：
[1] US DOE, AMES LAB, AMES, IA 50011 USA
[2] IOWA STATE UNIV SCI & TECHNOL, DEPT PHYS, AMES, IA 50011 USA
来源：
ANNALEN DER PHYSIK | 1996年 / 5卷 / 03期
关键词：
density functional calculations; platinum; surface relaxation;
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Using first-principles total-energy calculations the lattice relaxation, surface energy, work function and surface phonons have been determined for the Pt(100)-surface, Calculation of forces allows for a very efficient determination of equilibrium geometries and interplanar force constants. Results will be presented and compared with available experimental information.
引用
收藏
页码：215 / 223
页数：9
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