Optical properties of liquid pure copper by density functional theory

被引：0

作者：

Kato, Susumu ^{[1
]}

Ono, Shota ^{[2
]}

Sunahara, Atsushi ^{[3
]}

Sato, Yuji ^{[4
]}

Tsukamoto, Masahiro ^{[4
]}

机构：

[1] Natl Inst Adv Ind Sci & Technol, Res Inst Adv Elect & Photon, Tsukuba 3058568, Japan

[2] Gifu Univ, Dept Elect Elect & Comp Engn, Gifu 5011193, Japan

[3] Purdue Univ, Ctr Mat eXtreme Environm CMUXE, Sch Nucl Engn, W Lafayette, IN 47907 USA

[4] Osaka Univ, Joining & Welding Res Inst JWRI, Ibaraki 5670047, Japan

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2023年 / 35卷 / 32期

关键词：

optical properties; liquid copper; density functional theory; dielectric function; INITIO MOLECULAR-DYNAMICS; TIN MODEL CALCULATION; ELECTRONIC-STRUCTURE; OF-STATES; METALS; AG; DEPENDENCE; CONSTANTS; AU; CU;

D O I：

10.1088/1361-648X/acd21a

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The optical properties of pure liquid copper were investigated using density functional theory with the Quantum ESPRESSO package. The effects of structural changes were investigated by comparing the electron density of states and imaginary part of the dielectric function between the crystalline and liquid states with densities near the melting point. The results indicated that the effect of interband transitions remains in the structural changes near the melting point.

引用

页数：5

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