Ab initio thermodynamic properties of iridium: A high-pressure and high-temperature study
Balaram Thakur, Xuejun Gong, Andrea Dal Corso
Topics & Concepts
Bulk modulusThermodynamicsHeat capacityGrüneisen parameterIsobaric processPhononChemistryDensity functional theoryLocal-density approximationAb initioCondensed matter physicsPhysicsThermalComputational chemistryOrganic chemistryHigh-pressure geophysics and materialsAdvanced Chemical Physics StudiesSuperconductivity in MgB2 and Alloys