ELECTRONIC BAND STRUCTURE AND RELATED PROPERTIES OF CUBIC A1P

被引:24
作者
STUKEL, DJ
EUWEMA, RN
机构
[1] Aerospace Research Laboratories, Wright-Patterson Air Force Base, Dayton
来源
PHYSICAL REVIEW | 1969年 / 186卷 / 03期
关键词
D O I
10.1103/PhysRev.186.754
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
A first-principles self-consistent orthogonalized-plane-wave energy-band calculation has been carried out for cubic AlP using a nonrelativistic formalism and Slater's free-electron-exchange approximation. These are the first fully convergent, fully self-consistent energy-band solutions reported for AlP. The imaginary part of the dielectric constant, spin-orbit splitting, effective masses at k=0, and the x-ray form factors (Fourier transforms of the electron charge density) have been calculated. Since little is known experimentally about AlP, no comprehensive comparison can be made with experimental data. © 1969 The American Physical Society.
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页码:754 / &
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