GW calculation of plasmon excitations in the quasi-one-dimensional organic compound (TMTSF)2PF6

被引：6

作者：

Nakamura, Kazuma ^{[1
]}

Sakai, Shiro ^{[2
]}

Arita, Ryotaro ^{[2
]}

Kuroki, Kazuhiko ^{[3
]}

机构：

[1] Kyushu Inst Technol, Quantum Phys Sect, Kitakyushu, Fukuoka 8048550, Japan

[2] Univ Tokyo, Dept Appl Phys, Bunkyo Ku, Tokyo 1138656, Japan

[3] Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan

来源：

PHYSICAL REVIEW B | 2013年 / 88卷 / 12期

关键词：

PARTICLE ENERGIES; OPTICAL-PROPERTIES; GREENS-FUNCTION; ELECTRON-GAS; SELF-ENERGY; BAND-GAPS; APPROXIMATION; SUPERCONDUCTOR; 1ST-PRINCIPLES; SEMICONDUCTORS;

D O I：

10.1103/PhysRevB.88.125128

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present an ab initio GW calculation to study dynamical effects on an organic compound (TMTSF)(2)PF6. Calculated polarized reflectivities reproduce experimental plasma edges at around 0.2 eV for E broken vertical bar broken vertical bar b' and 1.0 eV for E broken vertical bar broken vertical bar a. The low-energy plasmons come out from the low-energy narrow bands energetically isolated from other higher-energy bands, and affect the low-energy electronic structure via the GW-type self-energy. Because of the quasi-one-dimensional band structure, a distinct plasmaron state is observed along the Y-Gamma line and a large plasmon-induced electron scattering is found in the low-energy occupied states along the X-M line.

引用

页数：5

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