Raman spectroscopy and pressure-induced structural phase transition in UTe_(2)  

作　　者：Urszula DWdowik Michal Vališka Andrej Cabala Fedir Borodavka Erika Samolová Dominik Legut 

机构地区：[1]IT4Innovations,VŠB-Technical University of Ostrava,17.listopadu 2172/15,70800 Ostrava,Czech Republic [2]Department of Condensed Matter Physics,Faculty of Mathematics and Physics,Charles University,Ke Karlovu 3,12116 Prague 2,Czech Republic [3]Institute of Physics,The Czech Academy of Sciences,Na Slovance 2,18200,Prague 8,Czech Republic [4]IT4Innovations,VŠB-Technical University of Ostrava,17.listopadu 2172/15,70800 Ostrava,Czech Republic and Department of Condensed Matter Physics,Faculty of Mathematics and Physics,Charles University,Ke Karlovu 3,12116 Prague 2,Czech Republic

出　　处：《Frontiers of physics》2025年第1期173-184,共12页物理学前沿(英文版)

基　　金：Czech Science Foundation(GACR)project No.22-22322S,the e-INFRA CZ(ID:90254)and QM4ST(CZ.02.01.01/00/22_008/0004572)projects supported by the Ministry of Education,Youth and Sports of the Czech Republic are acknowledged;supported within the program of Czech Research Infrastructures(Project No.LM2023065).

摘　　要：Results of the Raman scattering experiments,heat capacity measurements,ab initio simulations of the Raman spectra and pressure-induced phase transition in UTe_(2)single crystal are reported.Assignment of symmetries to particular Raman-active phonons follows directly from a comparative analysis of the measured and calculated Raman spectra.Theoretically determined lattice contribution to the specific heat of UTe_(2)allows for better description of its heat capacity measured over the temperatures ranging from 30 to 400 K.The orthorhombic-to-tetragonal phase transition pressure of 3.8 GPa is predicted at room temperature in very good agreement with the recent experimental studies.The phase transition remains almost phonon-independent with the transition pressure weakly temperature-dependent below 500 K.The strong local Coulomb correlations between U-5f electrons and spin-orbit interaction are shown to be important for realistic theoretical description of phonons and pressureinduced phase transition in UTe_(2).

关 键 词：Raman spectroscopy heat capacity phase transition ab initio simulations 

分 类 号：TG1[金属学及工艺—金属学]