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DFT insights into the new Hf-based chalcogenide MAX phase Hf2SeC

M. A. Ali, Muhammad Waqas Qureshi

2022Vacuum45 citationsDOI

Topics & Concepts

Debye modelThermal expansionMaterials scienceLattice constantThermodynamicsBulk modulusChalcogenideThermal conductivityGrüneisen parameterPhononCondensed matter physicsDensity functional theoryChemistryComputational chemistryComposite materialOpticsDiffractionMetallurgyPhysicsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials ResearchAdvanced ceramic materials synthesis
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