Dynamical instability, strong anharmonicity and electron-phonon coupling in KOs2O6: First-principles calculations
Source abstract
Abstract
First-principles pseudopotential calculations on phonon and electronic properties of β−pyrochlore superconductor KOs2O6 are performed. The imaginary soft-phonon modes with a special double-well potential for the lowest Eu(1) mode and the second lowest T1u(1) mode are reported, which indicates the dynamical instability in KOs2O6. However, the double wells are too small to induce a structural phase transformation in KOs2O6. The strong anharmonicity especially for K T2g(1) phonon mode is got, which is approved to be from the strong electron-phonon coupling that supports the superconductivity in KOs2O6.
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Research context
OpenAlex topics: Advanced Condensed Matter Physics · Nuclear materials and radiation effects · High-pressure geophysics and materials
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Affiliations
School of Physics and Electronic Information, Huaibei Normal University 1 , Huaibei 235000, Anhui, People’s Republic of China
Information College of Science, Nanjing University of Posts and Telecommunications 2 , Nanjing 210023, Jiangsu, People’s Republic of China
Funding
Natural Science Foundation of Jiangsu High Education Institutions of China · NUPTSF · Natural Science Foundation of Anhui Province
References (24)
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