논문 국내 국내전문학술지(KCI급) COMPUTATIONAL SIMULATIONS OF THERMOELECTRIC TRANSPORT PROPERTIES
- 학술지 구분 국내전문학술지(KCI급)
- 게재년월 2016-05
- 저자명 오민욱
- 학술지명 한국세라믹학회지
- 발행처명 한국세라믹학회
- 발행국가 국내
- 논문언어 외국어
- 전체저자수 2
홈페이지논문 초록 (Abstract)
This review examines computational simulations of thermoelectric properties, such as electrical conductivity, Seebeck coefficient , and thermal conductivity. With increasing computing power and the development of several efficient simulation codes for electro nic structure and transport properties calculations, we can evalu ate all the thermoelectric properties within the first-principles cal culations with the relaxation time approximation. This review presents the basic principles of electrical and thermal transport equations and how they evaluate properties from the first-principles calculations. As a model case, this review presents results on Bi2Te3 and Si. Even t hough there is still an unsolved parameter such as the relaxation time, the effectiveness of the computational simulations on the trans port properties will provide much help to experimental scientist researching novel thermoelectric materials.