首页|Prediction of novel layered indium halide superconductors
Prediction of novel layered indium halide superconductors
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We design two new layered indium halide compounds LaOInF2 and LaOInCl2 by means of first-principles calcu-lations and evolutionary crystal structure prediction.We find both compounds crystallize in a tetragonal structure with P4/nmm space group and have indirect band gaps of 2.58 eV and 3.21 eV,respectively.By substituting O with F,both of them become metallic and superconducting at low temperature.The F-doping leads to strong electron-phonon coupling in the low-energy acoustic phonon modes which is mainly responsible for the induced superconductivity.The total electron-phonon coupling strength are 1.86 and 1.48,while the superconducting transition temperature(Tc)are about 7.2 K and 6.5 K with 10％and 5％F doping for LaOInF2 and LaOInC12,respectively.
School of Physics & Astronomy and Center for Advanced Quantum Studies,Beijing Normal University,Beijing 100875,China
School of Physics and Information Engineering,Shanxi Normal University,Taiyuan 030031,China
Key Laboratory of Multiscale Spin Physics(Ministry of Education),Beijing Normal University,Beijing 100875,China
Fundamental Research Funds for the Central UniversitiesNational Natural Science Foundation of ChinaFundamental Research Program of Shanxi Province,China
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