Казанский (Приволжский) федеральный университет, КФУ
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VIBRATIONAL PROPERTIES AND MAGNETIC SPECIFIC HEAT OF THE COVALENT CHAIN ANTIFERROMAGNET RBFESE2
Форма представленияСтатьи в зарубежных журналах и сборниках
Год публикации2018
Языканглийский
  • Вагизов Фарит Габдулхакович, автор
  • Библиографическое описание на языке оригинала Kiiamov A.G. Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet RbFeSe2 / A. G. Kiiamov, Y. V. Lysogorskiy, F. G. Vagizov, L. R. Tagirov, D. A. Tayurskii, Z. Seidov, H.-A. Krug von Nidda, V. Tsurkan, D. Croitori, A. Giinther, F. Mayr, A. LoidI // Phys. Rev. B. - 2018. -Vol. 98, No.21. - P.214411-8
    Аннотация The magnetic specific heat of RbFeSe2 and the spin state of Fe3+ ions in the compound have been studied. Phonon dispersion and phonon density of states (PDOS), element specific and total, were evaluated from first-principles calculations. It is shown that iron atoms in quasi-one-dimensional chains have dramatically different vibrational properties against Rb and Se atoms: the Fe PDOS is mostly concentrated within two Einstein-like optical phonon peaks at high frequencies. Analysis of our Mossbauer data for RbFeSe2, utilizing the calculated Fe PDOS as well as our optical absorption measurements, have shown full agreement with the location of the high-frequency optical-type lattice vibrations within the FeSe4 tetrahedra. The calculated PDOS was utilized to evaluate the lattice contribution to the specific heat. The phonon heat capacity has been used to evaluate the magnetic specific heat of the quasi-one-dimensional antiferromagnetically correlated Fe3 ion chains in RbFeSe2.
    Ключевые слова Mossbauer spectroscopy, All-electron density functional calculations, Infrared spectroscopy, Specific heat measurements, Density of states, Electronic structure, Phonons
    Название журнала PHYS REV B
    URL https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.214411
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