[G] Thermoelectric Materials

[210] Evaluation of N-P type conversion mechanism in thermoelectric Zr(Ni, X)Sn (X= Ir, Co) by first-principles calculation

*YUAN CHEN¹, Manabu Watanabe¹, Yoshihiro Gohda¹, Yoshisato Kimura¹ (1. Tokyo Tech.(MSE))

Keywords:First-principles calculation、Thermoelectric material

Objective of the present work is to evaluate the DOS for different structure which could explain the N-P conduction type conversing phenomenon by setting up several models and discussing its' effects.