A First-Principles Study of Nonlinear Elastic Behavior and Anisotropic Electronic Properties of Two-Dimensional HfS<sub>2</sub>

A First-Principles Study of Nonlinear Elastic Behavior and Anisotropic Electronic Properties of Two-Dimensional HfS<sub>2</sub>

We utilize first principles calculations to investigate the mechanical properties and strain-dependent electronic band structure of the hexagonal phase of two dimensional (2D) HfS<sub>2</sub>. We apply three different deformation modes within &#8722;10% to 30% range of two uniaxial (...

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Bibliographic Details
Main Authors: Mahdi Faghihnasiri, Aidin Ahmadi, Samaneh Alvankar Golpayegan, Saeideh Garosi Sharifabadi, Ali Ramazani
Format: Article
Language:English
Published: MDPI AG 2020-03-01
Series:Nanomaterials
Subjects:
hfs2
density functional theory
mechanical properties
bandgap
elastic constants
Online Access:https://www.mdpi.com/2079-4991/10/3/446

Internet

https://www.mdpi.com/2079-4991/10/3/446

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