First-principles calculations of structural, electronic, magnetic, thermoelectric, and thermodynamic properties of BaMn2P2 in the Anti and ferromagnetic phase
Robeen Bibi, Zeshan Zada, Abdul Ahad Khan, Sikander Azam, Muhammad Irfan, Muhammad Ismail, Bakhtiar Ul Haq, Manzoor Ahmad, Saleem Ayaz Khan
Topics & Concepts
Thermoelectric effectAntiferromagnetismCondensed matter physicsFerromagnetismSeebeck coefficientBand gapMaterials scienceDensity functional theoryElectronic band structureDebye modelChemistryPhysicsThermodynamicsComputational chemistryIron-based superconductors researchHeusler alloys: electronic and magnetic properties2D Materials and Applications