Unified Assessment of the Effects of Van der Waals Interactions on the Structural and Electronic Properties of Some Layered Organic Solids <i>κ</i>-(BEDT-TTF)<sub>2</sub><i>X</i>

Unified Assessment of the Effects of Van der Waals Interactions on the Structural and Electronic Properties of Some Layered Organic Solids <i>κ</i>-(BEDT-TTF)<sub>2</sub><i>X</i>

Proper inclusion of van der Waals interactions (vdW) in ab initio calculations based on the density functional theory (DFT) is crucial to describe soft, organic, layered solids such as <inline-formula> <math display="inline"> <semantics> <mi>&#954;</mi> &l...

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Bibliographic Details
Main Authors: Predrag Lazić, Ognjen Milat, Branko Gumhalter, Silvia Tomić
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Crystals
Subjects:
mott insulators
quantum spin liquid
strongly correlated systems
density functional theory
Online Access:https://www.mdpi.com/2073-4352/9/7/348

Internet

https://www.mdpi.com/2073-4352/9/7/348

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