First-principles study of giant thermoelectric power in incommensurate TlInSe2

Ishikawa M., Nakayama T., Wakita K., Shim Y., MƏMMƏDOV N.

Journal of Applied Physics, vol.123, no.16, 2018 (SCI-Expanded, Scopus) identifier

  • Nəşrin Növü: Article / Article
  • Cild: 123 Say: 16
  • Nəşr tarixi: 2018
  • Doi nömrəsi: 10.1063/1.5011337
  • jurnalın adı: Journal of Applied Physics
  • Jurnalın baxıldığı indekslər: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Açıq Arxiv Kolleksiyası: Məqalə
  • Adres: Bəli

Qısa məlumat

Ternary thallium compound TlInSe2 exhibits a giant Seebeck effect below around 410 K, where Tl atoms form one dimensional incommensurate (IC) arrays. To clarify the origin of large thermoelectric power in the IC phase, the electronic properties of Tl-atom super-structured TlInSe2 were studied using the first-principles calculations. It was shown that the super-structures induce strong binding states between Se-p orbitals in the nearest neighboring layers and produce large density of states near lower conduction bands, which might be one of the origins to produce large thermoelectric power.