A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS<sub>3</sub>, ZrSe<sub>3</sub> and ZrTe<sub>3</sub> Monolayers

A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS<sub>3</sub>, ZrSe<sub>3</sub> and ZrTe<sub>3</sub> Monolayers

In a recent advance, zirconium triselenide (ZrSe<sub>3</sub>) nanosheets with anisotropic and strain-tunable excitonic response were experimentally fabricated. Motivated by the aforementioned progress, we conduct first-principle calculations to explore the structural, dynamic, Raman resp...

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Bibliographic Details
Main Authors: Bohayra Mortazavi, Fazel Shojaei, Mehmet Yagmurcukardes, Meysam Makaremi, Xiaoying Zhuang
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Energies
Subjects:
ZrSe<sub>3</sub>
electronic
mechanical
exfoliation energy
phonon dispersion
Online Access:https://www.mdpi.com/1996-1073/15/15/5479

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