Title
Computing optical properties of ultra-thin crystals Computing optical properties of ultra-thin crystals
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Subject
Mathematics
Chemistry
Biology
Computer. Automation
Source (journal)
WILEY INTERDISCIPLINARY REVIEWS: COMPUTATIONAL MOLECULAR SCIENCE (ELECTRONIC)
Volume/pages
6(2016) :4 , p. 351-368
ISSN
1759-0876
ISI
000379267300002
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2 , MoSe2, WS2, WSe2, h-AlN, h-BN, fluorographene, and graphane). Ultra-thin crystals are atomically thick-layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational, and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory. (C) 2016 John Wiley & Sons, Ltd WIREs Comput Mol Sci 2016, 6:351-368. doi: 10.1002/wcms.1252 For further resources related to this article, please visit the .
E-info
https://repository.uantwerpen.be/docman/iruaauth/37e617/134649.pdf
Full text (open access)
https://repository.uantwerpen.be/docman/irua/c2c5f2/134649.pdf
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