超导电性
四方晶系
镧
镧系元素
相变
相(物质)
材料科学
凝聚态物理
压缩性
热力学
结晶学
作者
Ling Chen,Tianxiao Liang,Zihan Zhang,Hao Song,Zhengtao Liu,Qiwen Jiang,Yue Chen,Defang Duan
标识
DOI:10.1088/1361-648x/ac55d7
摘要
Lanthanum (La), the first member of the lanthanide elements, recently aroused interests due to the discovery of high-Tcsuperconductor LaH10under high pressures and its unique superconducting properties. Here, we study the phase transitions, superconductivity and mechanical properties of metallic La under high pressures by first-principle calculations. The known face-centered cubic (fcc) phase with space groupFm3¯mstill exists above 100 GPa. And it transforms into an unprecedented body-centered tetragonal (bct) phase with space groupI4/mmmabove 180 GPa, which expands the high pressure phase transition sequence. Further calculations show that the superconducting transition temperatureTcof fcc phase decreases with increasing pressure with the rate of -0.13 K GPa-1, in good agreement with the experimental results. For the bct phase, the estimated superconducting transition temperature is very low withTcof 0.7 K at 200 GPa. The calculations of mechanical properties show that both of fcc and bct phases are compressible and brittle.
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