SEMICONDUCTOR CHARGE-DENSITIES WITH HARD-CORE AND SOFT-CORE PSEUDOPOTENTIALS

被引：308

作者：

HAMANN, DR

机构：

[1] Bell Laboratories, Murray Hill

来源：

PHYSICAL REVIEW LETTERS | 1979年 / 42卷 / 10期

关键词：

D O I：

10.1103/PhysRevLett.42.662

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Bulk Si valence charge densities calculated in a completely parallel manner for a traditional weak pseudopotential, a pseudopotential with a strongly repulsive core, and the full potential are compared. The second and third are in excellent agreement, while the first displays a somewhat modified bond-charge shape. © 1979 The American Physical Society.

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页码：662 / 665

页数：4

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