Composition and temperature dependent electronic structures ofNiS2−xSexalloys: First-principles dynamical mean-field theory approach

2015 ◽  
Vol 92 (23) ◽  
Author(s):  
Chang-Youn Moon ◽  
Hanhim Kang ◽  
Bo Gyu Jang ◽  
Ji Hoon Shim
Keyword(s):  
Field Theory ◽  
First Principles ◽  
Electronic Structures ◽  
Mean Field Theory ◽  
Mean Field ◽  
Dynamical Mean Field Theory ◽  
Theory Approach ◽  
Temperature Dependent

A cellular dynamical mean field theory approach to Mottness

2006 ◽  
Vol 321 (7) ◽  
pp. 1682-1715 ◽  
Author(s):  
Tudor D. Stanescu ◽  
Marcello Civelli ◽  
Kristjan Haule ◽  
Gabriel Kotliar
Keyword(s):  
Field Theory ◽  
Mean Field Theory ◽  
Mean Field ◽  
Dynamical Mean Field Theory ◽  
Theory Approach

scholarly journals Applications of DFT + DMFT in Materials Science

2019 ◽  
Vol 49 (1) ◽  
pp. 31-52 ◽  
Author(s):  
Arpita Paul ◽  
Turan Birol
Keyword(s):  
Field Theory ◽  
Density Functional Theory ◽  
First Principles ◽  
Density Functional ◽  
Materials Science ◽  
Mean Field Theory ◽  
Mean Field ◽  
Dynamical Mean Field Theory ◽  
Functional Theory ◽  
Insight Into

First-principles methods can provide insight into materials that is otherwise impossible to acquire. Density functional theory (DFT) has been the first-principles method of choice for numerous applications, but it falls short of predicting the properties of correlated materials. First-principles DFT + dynamical mean field theory (DMFT) is a powerful tool that can address these shortcomings of DFT when applied to correlated metals. In this brief review, which is aimed at nonexperts, we review the basics and some applications of DFT + DMFT.

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