Insights into the physical properties of newly synthesized AMn2P2 (A= Ca, Sr) via density functional theory
Md. Zahid Hasan, M.A. Rayhan, Md. Atikur Rahman, Aslam Hossain, M. M. Hossain, Wakil Hasan, Md. Zillur Rahman, Ashfaqul Haq, Sayed Sahriar Hasan, Adeeb Mahamud Hossain, K. Rashel Mohammad, Raihan Chowdhury, Md. Rasheduzzaman
Topics & Concepts
Materials scienceDensity functional theoryRefractive indexPhononAnisotropyThermal conductivityAb initioDielectricCondensed matter physicsEnthalpyLattice constantAb initio quantum chemistry methodsBand gapThermodynamicsComputational chemistryOpticsChemistryComposite materialOptoelectronicsMoleculePhysicsOrganic chemistryDiffractionIron-based superconductors researchMXene and MAX Phase MaterialsSemiconductor materials and interfaces