Investigation of electronic structure, magnetic stability, spin coupling, and thermodynamic properties of novel antiferromagnets XMn2Y2 (X = Ca, Sr; Y = P, As)
Zeshan Zada, Rifaqat Zada, Abdul Ahad Khan, Muhammad Saqib, Muhammad Fazal Ur Rehman, Muhammad Ismail, Neeraj Kulhari, Krishna S. Sharma, Muhammad Ismail, Xingchen Shen, Muhammad Faizan
Topics & Concepts
WIEN2kChemistryAntiferromagnetismSpintronicsDensity functional theoryCondensed matter physicsElectronic band structureElectronic structureBand gapMagnetic momentTernary operationFerromagnetismLocal-density approximationComputational chemistryPhysicsComputer scienceProgramming languageIron-based superconductors researchHeusler alloys: electronic and magnetic propertiesInorganic Chemistry and Materials