Rattling Phonon Modes in Quadruple Perovskites

Rattling Phonon Modes in Quadruple Perovskites

Rattling phonon modes are known to be the origin of various anomalous physical properties such as superconductivity, suppression of thermal conductivity, enhancement of specific heat etc. By means of DFT + calculations we directly show the presence of the rattling mode in the quadruple perovskites C...

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Veröffentlicht in:JETP letters 2023-11, Vol.118 (10), p.738-741
Hauptverfasser: Pchelkina, Z. V., Komleva, E. V., Irkhin, V. Yu, Long, Y., Streltsov, S. V.
Format: Artikel
Sprache:eng
Schlagworte:
Atomic
Biological and Medical Physics
Biophysics
Condensed Matter
Molecular
Optical and Plasma Physics
Particle and Nuclear Physics
Perovskites
Phonons
Physical properties
Physics
Physics and Astronomy
Quantum Information Technology
Solid State Physics
Spintronics
Superconductivity
Thermal conductivity
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Zusammenfassung:Rattling phonon modes are known to be the origin of various anomalous physical properties such as superconductivity, suppression of thermal conductivity, enhancement of specific heat etc. By means of DFT + calculations we directly show the presence of the rattling mode in the quadruple perovskites CuCu 3 V 4 O 12 and CuCu 3 Fe 2 Re 2 O 12 and argue that this might appear in others as well. It is demonstrated that Cu ions at sites vibrate in the center of the icosahedral oxygen O 12 cages and the corresponding potential has a complicated form with many local minima.
ISSN:0021-3640
1090-6487
DOI:10.1134/S0021364023603202