Newly synthesized MAX phase Zr<sub>2</sub>SeC: DFT insights into physical properties towards possible applications
M. A. Ali, Muhammad Waqas Qureshi
Abstract
This is the first time study of the mechanical properties including Vickers hardness and elastic anisotropy, electronic charge density distribution, thermodynamic and optical properties of the synthesized MAX phase Zr<sub>2</sub>SeC <italic>via</italic> DFT calculations.
Topics & Concepts
Debye modelThermodynamicsMaterials scienceLattice constantBulk modulusThermal expansionHeat capacityMelting pointThermal conductivityElectrical resistivity and conductivityPhase (matter)Gibbs free energyChemistryComposite materialPhysicsDiffractionOpticsOrganic chemistryQuantum mechanicsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials ResearchAdvanced ceramic materials synthesis