Ab initio GW calculation for organic compounds (TMTSF)2PF6
Strongly Correlated Electrons
2013-09-24 v1
Abstract
We present an ab initio GW calculation to study dynamical effects on an organic compound (TMTSF)2PF6. Calculated polarized reflectivities reproduce experimental plasma edges at around 0.2 eV for E||b' and 1.0 eV for E||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 large plasmon-induced electron scattering is found in the low-energy occupied states along the X-M line.
Cite
@article{arxiv.1306.0354,
title = {Ab initio GW calculation for organic compounds (TMTSF)2PF6},
author = {Kazuma Nakamura and Shiro Sakai and Ryotaro Arita and Kazuhiko Kuroki},
journal= {arXiv preprint arXiv:1306.0354},
year = {2013}
}
Comments
5 pages, 4 figures, 1 table