Publication | Closed Access
Study of the enhanced electronic and thermoelectric (TE) properties of Zr<sub>x</sub>Hf<sub>1−x−y</sub>Ta<sub>y</sub>NiSn: a first principles study
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Citations
53
References
2015
Year
EngineeringThermoelectricsElectronic StructureThermal ConductivityQuantum MaterialsMaterials SciencePhysicsGeneralized Gradient ApproximationBecke JohnsonElectrical PropertyCondensed Matter TheorySolid-state PhysicAb-initio MethodElectronic MaterialsFirst PrinciplesApplied PhysicsCondensed Matter PhysicsThermoelectric MaterialThermal Property
A density functional theory (DFT) approach employing generalized gradient approximation (GGA) and the modified Becke Johnson (TB-mBJ) potential has been used to study the electronic and thermoelectric (TE) properties of Zr<sub>x</sub>Hf<sub>1−x−y</sub>Ta<sub>y</sub>NiSn.
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