Insight into the structural, elastic, lattice dynamical, optical, and thermoelectric properties of novel Heusler alloy LiCaBi by first-principles approach
Jisha Annie Abraham, Debidatta Behera, Kshitij Srivastava, Anshuman Srivastava, Ramesh Sharma, Murefah mana Al‐Anazy, E. El Shiekh, Sanat Kumar Mukherjee
Topics & Concepts
Materials scienceSeebeck coefficientThermoelectric effectShear modulusCondensed matter physicsDebye modelElastic modulusBulk modulusAlloyLattice constantBand gapThermal conductivityThermodynamicsComposite materialOpticsOptoelectronicsDiffractionPhysicsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials