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Probing charge density wave phases and the Mott transition in1T−TaS2by inelastic light scattering
Physical Review B ( IF 3.7 ) Pub Date : 2021-06-22 , DOI: 10.1103/physrevb.103.245133
S. Djurdjić Mijin , A. Baum , J. Bekaert , A. Šolajić , J. Pešić , Y. Liu , Ge He , M. V. Milošević , C. Petrovic , Z. V. Popović , R. Hackl , N. Lazarević

We present a polarization-resolved, high-resolution Raman scattering study of the three consecutive charge density wave (CDW) regimes in 1TTaS2 single crystals, supported by ab initio calculations. Our analysis of the spectra within the low-temperature commensurate (C-CDW) regime shows P3¯ symmetry of the system, thus excluding the previously proposed triclinic stacking of the “star-of-David” structure, and promoting trigonal or hexagonal stacking instead. The spectra of the high-temperature incommensurate (IC-CDW) phase directly project the phonon density of states due to the breaking of the translational invariance, supplemented by sizable electron-phonon coupling. Between 200 and 352 K, our Raman spectra show contributions from both the IC-CDW and the C-CDW phases, indicating their coexistence in the so-called nearly commensurate (NC-CDW) phase. The temperature dependence of the symmetry-resolved Raman conductivity indicates the stepwise reduction of the density of states in the CDW phases, followed by a Mott transition within the C-CDW phase. We determine the size of the Mott gap to be Ωgap170190 meV, and track its temperature dependence.
更新日期:2021-06-22
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