Volume 110, Number 1, April 2015
|Number of page(s)||5|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||17 April 2015|
Novel electronic and phonon-related properties of the newly discovered silicide superconductor Li2IrSi3
1 School of Physics and Electronic Information, Huaibei Normal University - Huaibei 235000, China
2 College of Physics and Electronic Engineering, Zhengzhou University of Light Industry Zhengzhou 450002, China
3 Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences Hefei 230031, China
4 National Laboratory of Solid State Microstructures, Nanjing University - Nanjing 210093, China
Received: 27 March 2015
Accepted: 30 March 2015
By means of first-principles calculations, we investigate the electronic structure, lattice dynamics, and electron-phonon coupling of the newly discovered silicide superconductor Li2IrSi3. The band structure shows obvious three-dimensional character, and the number of hole pockets around the center of the Brillouin zone depends on whether spin-orbit coupling is taken into consideration. For the phonon-related properties, a phononic-crystal–like behavior with a frequency gap in the range is discovered, which makes Li2IrSi3 a good candidate for controlling the propagation of phonons. The electron-phonon coupling constant λ equals 0.52, and the estimated superconducting transition temperature is close to its experimental value, suggesting that Li2IrSi3 is a weak-coupling phonon-mediated superconductor.
PACS: 74.70.-b – Superconducting materials other than cuprates / 74.20.Pq – Electronic structure calculations / 74.25.Kc – Phonons
© EPLA, 2015
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