DFT‐Based Insights Into Elastic, Thermophysical, Electronic, and Optical Properties of Topological Insulators XTe5 (X = Zr, Hf)

ABSTRACT Transition metal penta‐tellurides, ZrTe5 and HfTe5 have recently drawn a lot of attention due to their fascinating physical properties and for being prominent materials showing topological phase transitions. In this work, we present first in‐depth investigation of elasto‐mechanical, thermop...

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Bibliografische gegevens

Hoofdauteurs:	Syed Shovon Mahbub Mahin, Suptajoy Barua, B. Rahman Rano, Ishtiaque M. Syed, S. H. Naqib
Formaat:	Artigo
Taal:	Inglês
Gepubliceerd in:	Wiley-VCH 2026-01-01
Reeks:	Advanced Physics Research
Onderwerpen:	density functional theory (DFT) elastic properties electronic band structure optical properties spin‐orbit coupling topological insulator
Online toegang:	https://doi.org/10.1002/apxr.202500132
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