Linear optical properties of solids within the full-potential linearized augmented planewave method

Ambrosch-Draxl C; Sofo JO

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Linear optical properties of solids within the full-potential linearized augmented planewave method

机译：全势线性化增强平面波方法内固体的线性光学性质

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We present a scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method. A summary of the theoretical background for the derivation of the dielectric tensor within the random-phase approximation is provided. The momentum matrix elements are evaluated in detail for the LAPW basis, and the interband as well as the intra-band contributions to the dielectric tensor are given. As an example the formalism is applied to Aluminum. The program is available as a module within the WIEN2k code. (C) 2006 Elsevier B.V. All rights reserved.

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《Computer physics communications》 |2006年第1期|共14页
作者
Ambrosch-Draxl C; Sofo JO;
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正文语种 eng
中图分类计算机的应用;
关键词
DIELECTRIC RESPONSE; 1ST-PRINCIPLES CALCULATIONS; BAND-STRUCTURE; ALUMINUM; CONSTANT; SPECTRUM; LITHIUM; AL;

机译：介电响应;第一性原理计算;能带结构;铝;常数;光谱;锂;铝;

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1. Linear optical properties of solids within the full-potential linearized augmented planewave method [J] . Ambrosch-Draxl C, Sofo JO Computer physics communications . 2006,第1期

机译：全势线性化增强平面波方法内固体的线性光学性质
2. SYMMETRIZATION OF ATOMIC FORCES WITHIN THE FULL-POTENTIAL LINEARIZED AUGMENTED-PLANE-WAVE METHOD [J] . Dipomponio A., Podloucky R., Vackar J., Physical Review, B. Condensed Matter . 1996,第15期

机译：全势线性增强平面波方法内原子力的对称化
3. Calculations of the magnetic properties of Y2Fe14B and Gd2Fe14X (X = -, B, C, N) by the full-potential linearized augmented plane wave method [J] . Yamaguchi M., Asano S. Physica, B. Condensed Matter . 1998,第1a2期

机译：用全电位线性化增强平面波方法计算Y2Fe14B和Gd2Fe14X（X =-，B，C，N）的磁性能
4. Half-metallicity at ferromagnetic/antiferromagnetic interfaces in zincblende transition-metal chalcogenides: A full-potential linearized augmented plane-wave study within LDA+U [C] . Kohji Nakamura, Toru Akiyama, Tomonori Ito Annual Conference on Magnetism and Magnetic Materials . 2008

机译：锌博伦特 - 金属硫胺基化物中铁磁性/反铁磁性界面的半金属性：LDA + U内的全电位线性化增强平面波研究
5. An analytical method to determine the mechanical properties of linear viscoelastic solids. [D] . Sullivan, Rani Warsi. 2003

机译：一种确定线性粘弹性固体力学性能的分析方法。
6. New Solids in As-O-Mo As(P)-O-Mo(W) and As(P)-O-Nb(W) Systems That Exhibit Nonlinear Optical Properties [O] . Nikolay Gerasimchuk, Lauri Kivijarvi, Bruce Noll, 2021

机译：AS-O-Mo的新固体如（p）-o-mo（w）和显示非线性光学性质的（p）-o-nb（w）系统
7. Linear optical properties of solids within the full-potential linearized augmented planewave method [O] . Ambrosch-Draxl, C., Sofo, J. O. 2004

机译：全电位线性化固体内的线性光学性质增强平面波方法

Linear optical properties of solids within the full-potential linearized augmented planewave method

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