ELECTRONIC-STRUCTURE OF K-(001) SURFACE BY THE DENSITY MATRIX-METHOD

被引：19

作者：

BOHNEN, KP ^{[1
]}

YING, SC ^{[1
]}

机构：

[1] BROWN UNIV, PROVIDENCE, RI 02912 USA

来源：

SOLID STATE COMMUNICATIONS | 1979年 / 30卷 / 05期

关键词：

D O I：

10.1016/0038-1098(79)90081-4

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure of the (001) surface of b.c.c. K has been studied by a direct determination of the density matrix in a local orbital basis. The method is based on a variational treatment of the ground state energy applying the Hohenberg-Kohn-Sham functional formalism. Surface charge density, work function and surface energy are in good agreement with other first principle self consistent calculations. © 1979.

引用

页码：301 / 304

页数：4

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