Investigation of structural, electronic, elastic, vibrational, thermodynamic, and optical properties of Mg2NiH4 and Mg2RuH4 compounds used in hydrogen storage
Çağatay Yamçıçıer, Cihan Kürkçü
Topics & Concepts
Orthorhombic crystal systemBulk modulusShear modulusDirect and indirect band gapsBand gapPoisson's ratioCrystallographyMaterials scienceElectronic structureElectronic band structureDensity functional theoryChemistryPhononSemiconductorPrimitive cellThermodynamicsCrystal structureCondensed matter physicsComputational chemistryComposite materialPoisson distributionPhysicsOptoelectronicsMathematicsStatisticsHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchNuclear Materials and Properties