First principles study on phonon dispersion, mechanical and thermodynamic properties of ThP
M.H. Sahafi, M. Mahdavi
Topics & Concepts
Materials sciencePhononIsochoric processHeat capacityThermodynamicsThermal expansionDebye modelCondensed matter physicsBulk modulusAnisotropyDensity functional theoryAb initioGrüneisen parameterElastic modulusComputational chemistryPhysicsOpticsQuantum mechanicsChemistryComposite materialHigh-pressure geophysics and materialsSuperconductivity in MgB2 and AlloysBoron and Carbon Nanomaterials Research