[G] 熱電材料

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

*CHEN YUAN¹、渡邉 学¹、合田 義弘¹、木村 好里¹ (1. 東工大（物質理工学院）)

キーワード：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.