Electronic polarons, cumulants and doubly dynamical mean field theory: Theoretical spectroscopy for correlated and less correlated materials

被引：7

作者：

Biermann, Silke ^{[1
]}

van Roekeghem, Ambroise ^{[1
]}

机构：

[1] Univ Paris Saclay, CNRS, Ecole Polytech, Ctr Phys Theor, F-91128 Palaiseau, France

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 2016年 / 208卷

基金：

欧洲研究理事会;

关键词：

Electronic structure; Theoretical spectroscopy; Correlated electron materials; Dynamical screening; Dynamical mean field theory; Satellites; GREENS-FUNCTION; SYSTEMS; SATELLITES; SRVO3;

D O I：

10.1016/j.elspec.2016.01.001

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The use of effective local Coulomb interactions that are dynamical, that is, frequency-dependent, is an efficient tool to describe the effect of long-range Coulomb interactions and screening thereof in solids. The dynamical character of the interaction introduces the coupling to screening degrees of freedom such as plasmons or particle-hole excitations into the many-body description. We summarize recent progress using these concepts, putting emphasis on dynamical mean field theory (DMFT) calculations with dynamical interactions ("doubly dynamical mean field theory"). We discuss the relation to the combined GW+DMFF method and its simplified version "Screened Exchange DMFT", as well as the cumulant schemes of many-body perturbation theory. On the example of the simple transition metal SrVO3, we illustrate the mechanism of the appearance of plasmonic satellite structures in the spectral properties, and discuss implications for the low-energy electronic structure. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：17 / 23

页数：7

共 71 条

[1] Dynamical mean-field theory within an augmented plane-wave framework: Assessing electronic correlations in the iron pnictide LaFeAsO [J].

Aichhorn, Markus ;

Pourovskii, Leonid ;

Vildosola, Veronica ;

Ferrero, Michel ;

Parcollet, Olivier ;

Miyake, Takashi ;

Georges, Antoine ;

Biermann, Silke .

PHYSICAL REVIEW B, 2009, 80 (08)

[2] Self-Energy on the Low- to High-Energy Electronic Structure of Correlated Metal SrVO3 [J].

Aizaki, S. ;

Yoshida, T. ;

Yoshimatsu, K. ;

Takizawa, M. ;

Minohara, M. ;

Ideta, S. ;

Fujimori, A. ;

Gupta, K. ;

Mahadevan, P. ;

Horiba, K. ;

Kumigashira, H. ;

Oshima, M. .

PHYSICAL REVIEW LETTERS, 2012, 109 (05)

[3] Variational total energies from φ- and Ψ-derivable theories [J].

Almbladh, CO ;

Von Barth, U ;

Van Leeuwen, R .

INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 1999, 13 (5-6) :535-541

[4] First-principles calculations of the electronic structure and spectra of strongly correlated systems: dynamical mean-field theory [J].

Anisimov, VI ;

Poteryaev, AI ;

Korotin, MA ;

Anokhin, AO ;

Kotliar, G .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (35) :7359-7367

[5] Calculations of Hubbard U from first-principles [J].

Aryasetiawan, F. ;

Karlsson, K. ;

Jepsen, O. ;

Schoenberger, U. .

PHYSICAL REVIEW B, 2006, 74 (12)

[6] Frequency-dependent local interactions and low-energy effective models from electronic structure calculations [J].

Aryasetiawan, F ;

Imada, M ;

Georges, A ;

Kotliar, G ;

Biermann, S ;

Lichtenstein, AI .

PHYSICAL REVIEW B, 2004, 70 (19) :1-8

[7] The GW method [J].

Aryasetiawan, F ;

Gunnarsson, O .

REPORTS ON PROGRESS IN PHYSICS, 1998, 61 (03) :237-312

[8] Multiple plasmon satellites in Na and Al spectral functions from ab initio cumulant expansion [J].

Aryasetiawan, F ;

Hedin, L ;

Karlsson, K .

PHYSICAL REVIEW LETTERS, 1996, 77 (11) :2268-2271

[9]

Aryasetiawan F., 2004, P C COINC STUD SURF

[10] Screening and nonlocal correlations in the extended Hubbard model from self-consistent combined GW and dynamical mean field theory [J].

Ayral, Thomas ;

Biermann, Silke ;

Werner, Philipp .

PHYSICAL REVIEW B, 2013, 87 (12)

← 1 2 3 4 5 6 7 8 →