Thickness dependencies in the calculated properties of metallic ultra-thin films

被引：5
|
作者：
Boettger, JC [1 ]
机构：
[1] Univ Calif Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA
来源：
MICROSCOPIC SIMULATION OF INTERFACIAL PHENOMENA IN SOLIDS AND LIQUIDS | 1998年 / 492卷
关键词：
D O I：
10.1557/PROC-492-157
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：
Ultra-thin film (UTF) electronic structure calculations are a common tool for investigating surface properties. In this work, electronic structure calculations for Al(111) films ranging from one to twelve atoms thick are used to illustrate some of the difficulties that can arise when one attempts to determine surface properties of metals with UTF calculations.
引用
收藏
页码：157 / 167
页数：11
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