Physical properties of MAX phase Zr2PbC under pressure: Investigation via DFT scheme

This study investigates the physical properties of Zr2PbC under pressure using DFT. The lattice constants drop linearly from a = 3.41 to 2.97 Å and c = 14.96 to 13.60 Å with increasing pressure ranging from 0 to 100 GPA. The negative formation enthalpy confirms the thermodynamic stability the pressu...

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Veröffentlicht in:	Physica. B, Condensed matter Condensed matter, 2021-11, Vol.620, p.413258, Article 413258
Hauptverfasser:	Khatun, Rukaia, Rahman, Md Atikur, Hossain, Khandaker Monower, Hasan, Md Zahid, Rasheduzzaman, Md, Sarker, Sushmita
Format:	Artikel
Sprache:	eng
Schlagworte:	And optical functions Anisotropy DFT calculations Ductile-brittle transition Ductility Elastic properties Electronic properties Enthalpy Lattice parameters MAX phase Mechanical properties Physical properties Physical Sciences Physics Physics, Condensed Matter Poisson's ratio Pressure Science & Technology Stability Switches Thermodynamics
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