Cationic variation for LnAl2Si2 (Ln = Y, Sm, Tb, Dy, Yb) compounds by density functional theory
Zeshan Zada, Abdul Ahad Khan, A.H. Reshak, Muhammad Ismail, Sabeen Zada, G. Murtaza, Muhammad Saqib, Muhammad Mahyiddin Ramli, Jiří Bíla
Topics & Concepts
Density functional theoryChemistryTernary operationLanthanideCondensed matter physicsLattice constantFerromagnetismDensity of statesSpintronicsFermi levelMetalElectronic band structureCationic polymerizationCrystallographyElectronComputational chemistryPhysicsQuantum mechanicsOrganic chemistryIonDiffractionComputer scienceProgramming languageSemiconductor materials and interfacesHeusler alloys: electronic and magnetic propertiesIron-based superconductors research