Structural, electronic, magnetic and thermoelectric properties of Tl₂NbX₆ (X = Cl, Br) variant perovskites calculated via density functional theory

Keyphrases

• Via Density 100%
• Semiconductor Nature 50%
• Spin Seebeck Effect 50%
• Spin Resolved 50%
• Half-metallic 50%
• Spintronics 50%
• Metallic Nature 50%
• Electronic Nature 50%
• BoltzTraP 50%
• Down State 50%
• Thermoelectric Parameters 50%
• Boltzmann Transport Theory 50%
• Spin-polarized Calculations 50%

Material Science

• Density 100%
• Thermoelectrics 100%
• Thermal Conductivity 33%
• Electronic Band Structure 33%