Density Functional Theory Approach to the Vibrational Properties and Magnetic Specific Heat of the Covalent Chain Antiferromagnet KFeS<sub>2</sub>.

Kiiamov, Airat; Kuznetsov, Maxim; Croitori, Dorina; Filippova, Irina; Tsurkan, Vladimir; Krug von Nidda, Hans-Albrecht; Seidov, Zakir; Mayr, Franz; Widmann, Sebastian; Vagizov, Farit; Tayurskii, Dmitrii; Tagirov, Lenar

Density Functional Theory Approach to the Vibrational Properties and Magnetic Specific Heat of the Covalent Chain Antiferromagnet KFeS₂.

Kiiamov, Airat; Kuznetsov, Maxim; Croitori, Dorina; Filippova, Irina; Tsurkan, Vladimir; Krug von Nidda, Hans-Albrecht; Seidov, Zakir; Mayr, Franz; Widmann, Sebastian; Vagizov, Farit; Tayurskii, Dmitrii; Tagirov, Lenar.

Afiliação

Kiiamov A; Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.
Kuznetsov M; Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.
Croitori D; Institute of Applied Physics, MD-20208 Chisinau, Moldova.
Filippova I; Institute of Applied Physics, MD-20208 Chisinau, Moldova.
Tsurkan V; Institute of Applied Physics, MD-20208 Chisinau, Moldova.
Krug von Nidda HA; Experimental Physics V, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany.
Seidov Z; Experimental Physics V, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany.
Mayr F; Experimental Physics V, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany.
Widmann S; Institute of Physics, Azerbaijan National Academy of Sciences, AZ-1143 Baku, Azerbaijan.
Vagizov F; Experimental Physics V, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany.
Tayurskii D; Experimental Physics V, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany.
Tagirov L; Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.

Molecules ; 27(9)2022 Apr 20.

Article em En | MEDLINE | ID: mdl-35566013

Palavras-chave

density functional theory; magnetic specific heat; phonon density of states; quasi-one-dimensional antiferromagnet; spin chain models; ternary potassium-iron sulfide

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Texto completo: 1 Bases de dados: MEDLINE Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Federação Russa

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