The EPMD-LMTO program for electron-positron momentum density calculations in solids

被引：50

作者：

Barbiellini, B ^{[1
]}

Dugdale, SB

Jarlborg, T

机构：

[1] Northeastern Univ, Dept Phys, Boston, MA 02115 USA

[2] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England

[3] Univ Geneva, DPMC, CH-1211 Geneva 4, Switzerland

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2003年 / 28卷 / 02期

关键词：

DFT; LMTO; positrons; X-ray scattering; momentum density;

D O I：

10.1016/S0927-0256(03)00114-9

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A package to calculate the momentum densities measured in positron annihilation and Compton scattering experiments is presented. The theoretical background to the method and the unique features of the package are explained. The application of the method to a variety of systems is illustrated with examples chosen to highlight how such calculations have been essential to the interpretation of the experiments. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：287 / 301

页数：15

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