AbstAb-initio insights into the elastic, bonding, phonon, optoelectronic and thermophysical properties of SnTaS2
M. I. Naher, Md. Mahamudujjaman, A. Tasnim, Riyajul Islam, S. H. Naqib
Topics & Concepts
Debye modelCondensed matter physicsPhononMaterials scienceDensity functional theoryAnisotropyAb initio quantum chemistry methodsFermi levelBand gapElectronic band structureAb initioChemistryElectronComputational chemistryOpticsPhysicsOrganic chemistryQuantum mechanicsMolecule2D Materials and ApplicationsIron-based superconductors researchHeusler alloys: electronic and magnetic properties