Thermodynamic Phase Diagram,Half-Metallic and Optical Properties of the Zr2TiSi [111] Films Based on DFT

Silicon - Thermodynamic stability, electronic and optical properties of the Zr2TiSi compound in the bulk and its [111] films have been investigated, based on the density functional theory (DFT)...     

Structural,Half-Metallic,Optical, and Thermoelectric Study on the Zr2TiX (X = Al,Ga, Ge,Si) Heuslers: by DFT

Silicon - Based on the density functional theory (DFT) framework, the mechanical, half-metallic (HF), optical and thermoelectric properties of Zr2TiX (X = Al, Ga, Ge, Si) Heusler compounds are...