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Theoretical prediction of the mechanical, electronic, optical and thermodynamic properties of antiperovskites A3BO (A = K, Rb and B = Au, Br) using DFT scheme: new candidate for optoelectronic devices application

Salah Uddin, Akash Das, M. A. Rayhan, Sohail Ahmad, Rashel Mohammad Khokan, Md. Rasheduzzaman, Remon Das, Aasim Ullah, Yasir Arafat, Md. Zahid Hasan

2024Journal of Computational Electronics23 citationsDOI

Topics & Concepts

AntiperovskiteMaterials scienceDensity functional theoryBand gapBulk modulusElectronic structureSemiconductorMachinabilityOptical conductivityOptoelectronicsCondensed matter physicsComposite materialComputational chemistryChemistryMachiningLayer (electronics)MetallurgyNitridePhysicsThermal Expansion and Ionic ConductivityPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic properties
Theoretical prediction of the mechanical, electronic, optical and thermodynamic properties of antiperovskites A3BO (A = K, Rb and B = Au, Br) using DFT scheme: new candidate for optoelectronic devices application | Litcius