Compositional Effects and Electron Lone-pair Distortions in Doped Bournonites.

Khabibullin, Artem R; Wei, Kaya; Huan, Tran D; Nolas, George S; Woods, Lilia M

Khabibullin, Artem R; Wei, Kaya; Huan, Tran D; Nolas, George S; Woods, Lilia M.

Afiliação

Khabibullin AR; Department of Physics, University of South Florida, Tampa, FL, 33620, USA.
Wei K; National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL, 32310, USA.
Huan TD; Department of Materials Science & Engineering and Institute of Materials Science, University of Connecticut, Storrs, CT, 06296-3136, USA.
Nolas GS; Department of Physics, University of South Florida, Tampa, FL, 33620, USA.
Woods LM; Department of Physics, University of South Florida, Tampa, FL, 33620, USA.

Chemphyschem ; 19(20): 2635-2644, 2018 10 19.

Article em En | MEDLINE | ID: mdl-30059598

Palavras-chave

bournonites; density functional theory; first-principles simulations; thermal conductivity; thermoelectricity

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chemphyschem Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2018 Tipo de documento: Article País de afiliação: Estados Unidos

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