Study on the possibility of band gap widening of thermoelectric semiconductor α-SrSi₂ by isoelectronic elements incorporation

Keyphrases

• Band Gap 100%
• Band Broadening 100%
• Lattice Constant 100%
• Isoelectronic 100%
• Thermoelectric Semiconductor 100%
• Element Incorporation 100%
• First-principles Calculations 33%
• Thermoelectric Properties 33%
• Narrow Gap 33%
• Grain Boundary 33%
• Thermoelectric Materials 33%
• Near-room Temperature 33%
• Isoelectronic Impurities 33%
• Mg Substitution 33%
• Ca Substitution 33%
• Ba Substitution 33%
• Mg-Ca 33%
• Hybrid Functional 33%
• Impurity Defects 33%
• Sn Substitution 33%
• Ge Substitution 33%

Material Science

• Lattice Constant 100%
• Thermoelectrics 100%
• Thermoelectric Materials 33%
• Grain Boundary 33%