講演情報

[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.