Effects of Exchange Correlation Functional (Vwdf3) on the Structural, Elastic, and Electronic Properties of Transition Metal Dichalogenides

Effects of Exchange Correlation Functional (Vwdf3) on the Structural, Elastic, and Electronic Properties of Transition Metal Dichalogenides

In this research, the effects of Van der Waals forces on the structural, elastic, electronic, and optical properties of bulk transition metals dichalcogenides (TMDs) were studied using a novel exchange-correlation functional, vdW-DF3. This new functional tries to correct the hidden Van der Waals pr...

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Bibliographic Details
Main Authors: Shehu Aminu Yamusa, A Shaari, Ibrahim Isah, Usama Bello Ibrahim, Salisu I. Kunya, Sani Abdulkarim, Y. S. Itas, M. Alsalamh
Format: Article
Language:English
Published: Nigerian Society of Physical Sciences 2023-01-01
Series:Journal of Nigerian Society of Physical Sciences
Subjects:
Van der Waals
PBE
Hexagonal
vdW-DF3
Dichalcogenides
Online Access:https://journal.nsps.org.ng/index.php/jnsps/article/view/1094

Internet

https://journal.nsps.org.ng/index.php/jnsps/article/view/1094

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