高压物理学报2025，Vol.39Issue(6)：9-16,8.DOI:10.11858/gywlxb.20240906
高压下LuThH10的晶体结构和超导性质
Crystal Structure and Superconducting Properties of LuThH10 at High Pressure
摘要
Abstract
Using particle swarm optimization and first-principles calculations,the crystal structures,electronic properties,and superconducting behavior of the ternary hydride LuThH10 under high pressure are investigated.Our study uncovers two thermodynamically stable phases with space group symmetries of C2/m and Cmmm.Spectral function and electron-phonon coupling calculations show superconducting transition temperatures(Tc)of 65.8 K and 70.7 K under 200 GPa for the C2/m and Cmmm phases of LuThH10,respectively.At 300 GPa,the Tc of the C2/m phase reaches 60.0 K.Further analysis reveals that the H atoms make critical contributions to the superconducting properties of LuThH10,by which the high-frequency vibration of the H atoms enhances Tc.关键词
氢化物/高压/第一性原理计算/超导电性Key words
hydride/high pressure/first principles/superconductivity分类
数理科学引用本文复制引用
邓雨欣,王泽茜,李天缘,王世达,王金华..高压下LuThH10的晶体结构和超导性质[J].高压物理学报,2025,39(6):9-16,8.基金项目
天津市级大学生创新创业训练计划项目(202310066098) （202310066098）
吉林大学超硬材料国家重点实验室开放课题(202307) （202307）
