First-Principles Study of Hole-Doped Superconductors RNiO_(2)(R=Nd,La,and Pr)  

作　　者：Juan-Juan Hao Pei-Han Sun Ming Zhang Xian-Xin Wu Kai Liu Fan Yang 蒿娟娟;孙培函;张铭;吴贤新;刘凯;杨帆(School of Physics,Beijing Institute of Technology,Beijing 100081,China;Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano Devices,Renmin University of China,Beijing 100872,China;CAS Key Laboratory of Theoretical Physics,Institute of Theoretical Physics,Chinese Academy of Sciences,Beijing 100190,China;Max-Planck-Institut f¨ur Festk¨orperforschung,Heisenbergstrasse 1,D-70569 Stuttgart,Germany)

机构地区：[1]School of Physics,Beijing Institute of Technology,Beijing 100081,China [2]Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano Devices,Renmin University of China,Beijing 100872,China [3]CAS Key Laboratory of Theoretical Physics,Institute of Theoretical Physics,Chinese Academy of Sciences,Beijing 100190,China [4]Max-Planck-Institut f¨ur Festk¨orperforschung,Heisenbergstrasse 1,D-70569 Stuttgart,Germany

出　　处：《Chinese Physics Letters》2022年第6期29-33,共5页中国物理快报（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant Nos. 12074031, 11674025, and 12174443);the National Key R&D Program of China (Grant No. 2017YFA0302903);the Beijing Natural Science Foundation (Grant No. Z200005)

摘　　要：Recent experiments have found that in contrast to the nonsuperconducting bulk RNiO_(2)(R=Nd,La,and Pr),the strontium-doped R_(1−x)Sr_(x)NiO_(2)thin films show superconductivity with the critical temperature T_(c)of 9–15K at x=0.2,whose origin of superconductivity deserves further investigation.Based on first-principles calculations,we study the electronic structure,lattice dynamics,and electron–phonon coupling(EPC)of the undoped and doped RNiO_(2)(R=Nd,La,and Pr)at the experimental doping level.Our results show that the EPC-derived T_(c)’s are all about 0K in the undoped and doped RNiO_(2).The electron–phonon coupling strength is too small to account for the observed superconductivity.We hence propose that the electron–phonon interaction can not be the exclusive origin of the superconductivity in RNiO_(2)(R=Nd,La,and Pr).

关 键 词：SUPERCONDUCTIVITY PHONON COUPLING 

分 类 号：O469[理学—凝聚态物理]