Litcius/Paper detail

Structural, elastic, electronic, optical and thermoelectric response of lead-free double perovskite Rb2TlInX6 (X=Cl, I) for energy storage devices: DFT+SOC investigations

Moeen Ud Din, Quratul Ain, Masood Yousaf, Junaid Munir

2022Materials Science in Semiconductor Processing66 citationsDOI

Topics & Concepts

WIEN2kMaterials scienceDensity functional theoryBand gapThermoelectric effectBulk modulusDirect and indirect band gapsShear modulusCondensed matter physicsSemiconductorOptical conductivityOptoelectronicsThermodynamicsComputational chemistryComposite materialLocal-density approximationChemistryPhysicsPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic properties
Structural, elastic, electronic, optical and thermoelectric response of lead-free double perovskite Rb2TlInX6 (X=Cl, I) for energy storage devices: DFT+SOC investigations | Litcius