APPROXIMATE CALCULATION OF ELECTRONIC BAND STRUCTURES .3.

被引：81

作者：

HUBBARD, J

机构：

[1] Theoretical Physics Division, Atomic Energy Research Establishment, Harwell, Didcot, Berks

来源：

JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS | 1969年 / 2卷 / 07期

关键词：

D O I：

10.1088/0022-3719/2/7/315

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

It has been shown that a method for the approximate calculation of transition-metal band structures originally suggested by Heine can be made to give good accuracy (to about 0·01 ryd) when suitable modifications and refinements are introduced. This method has the advantage as compared with other recently suggested schemes of not involving any adjustable β parameter and of giving good accuracy using secular equations of minimal size.

引用

页码：1222 / &

共 14 条

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ASANO, S
YAMASHITA, J
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[2] ENERGY BAND STRUCTURE OF COPPER
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[7] CALCULATION OF TRANSITION-METAL BAND STRUCTURES
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[8] THEORY OF TRANSITION METAL BAND STRUCTURES
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[9] COMBINED INTERPOLATION SCHEME FOR TRANSITION AND NOBLE METALS
MUELLER, FM
[J]. PHYSICAL REVIEW, 1967, 153 (03): : 659 - &
[10] CHOICE OF MUFFIN-TIN PSEUDOPOTENTIAL
PENDRY, JB
CAPART, G
[J]. JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1969, 2 (05): : 841 - &

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