Predicting the stable Type-I phase of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si105.gif"> <mml:mrow> <mml:mi>X</mml:mi> <mml:mi>M</mml:mi> <mml:mi>n</mml:mi> <mml:mi>S</mml:mi> <mml:mi>b</mml:mi> </mml:mrow> </mml:math> (X= Co, Fe, Os) compounds and its thermodynamic, electronic and magnetic properties from first-principles calculations
Oghenekevwe Timothy Uto, Paul O. Adebambo, J. O. Akinlami, G.A. Adebayo
Topics & Concepts
Density functional theoryMaterials scienceDebye modelThermodynamicsElectronic band structureCrystallographyCondensed matter physicsComputational chemistryPhysicsChemistryHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin FilmsAdvanced Thermoelectric Materials and Devices