High-pressure transition from metallic to semiconductor in newly discovered stable NaRuH3: Electronic band structure, elastic constants and mechanical properties
Seher Akbar, Xin Liu, Muhammad Imtiaz Rashid, Khurram Shahzad, Aishah Binti Mahpudz, Arshid Mahmood Ali, Yazen M. Alawaideh, Hala Ghannam
Topics & Concepts
Materials scienceDebye modelHydrogen storageBulk modulusSemiconductorBand gapHydrogenElectronic band structureShear modulusCondensed matter physicsElastic modulusMetalDirect and indirect band gapsComposite materialElectronic structureShear (geology)Density of statesAmbient pressureLattice constantDopingAbsorption (acoustics)Density functional theoryThermodynamicsThermal stabilityMaterial propertiesLattice (music)Compression (physics)Transition metalThermalMetallic bondingHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchThermal Expansion and Ionic Conductivity