Classical Density Functional Theory Approach to the Vibrational Properties and Lattice Specific Heat of a Quasi-One-Dimensional Antiferromagnet KFeSe2 |
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| Authors: | Kuznetsov M D Kiiamov A G Tayurskii D A |
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| Institution: | 1.Institute of Physics, Kazan Federal University, 420008, Kazan, Russia
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| Abstract: | JETP Letters - We have performed ab initio calculations of vibrational properties of KFeSe2 compound utilizing density functional theory. Total and element specific phonon densities of states have... |
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