Surface Effect on the Half-Metallic and Thermoelectric Properties of Co2TiSn [001] Film

Аннотация

The half-metallic, mechanical, and thermoelectric properties o f the Co^TiSn in bulk and [001] films were investigated based on density functional theory (DFT) and full-potential linear augmented plane waves plus local orbitals method (FP-LAPW + LO). The exchange-correlation functional was approximated by generalized gradient approximation (GGA). The Co2TiSn bulk has mechanical stability in three static, dynamic, and elastic forms.