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| 001 | 601655 | ||
| 005 | 20250715170833.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevB.109.035133 |2 doi |
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| 100 | 1 | _ | |a Diego, Josu |0 P:(DE-HGF)0 |b 0 |e Corresponding author |
| 245 | _ | _ | |a Electronic structure and lattice dynamics of $1 T − VSe_2$ : Origin of the three-dimensional charge density wave |
| 260 | _ | _ | |a Woodbury, NY |c 2024 |b Inst. |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a To characterize in detail the charge density wave (CDW) transition of $1 T − VSe_2$, its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse and inelastic x-ray scattering, and state-of-the-art first-principles density functional theory calculations. Resonant elastic x-ray scattering does not show any resonant enhancement at either V or Se, indicating that the CDW peak at the K edges describes a purely structural modulation of the electronic ordering. ARPES experiments identify (i) a pseudogap at $T>T_{CDW}$, which leads to a depletion of the density of states in the ML-M'L' plane at $T>T_{CDW}$, and (ii) anomalies in the electronic dispersion reflecting a sizable impact of phonons on it. A diffuse scattering precursor, characteristic of soft phonons, is observed at room temperature (RT) and leads to the full collapse of the low-energy phonon $(ω_1)$ with propagation vector (0.25 0 −0.3) r.l.u. We show that the frequency and linewidth of this mode are anisotropic in momentum space, reflecting the momentum dependence of the electron-phonon interaction (EPI), hence demonstrating that the origin of the CDW is, to a much larger extent, due to the momentum dependent EPI with a small contribution from nesting. The pressure dependence of the $ω_1$ soft mode remains nearly constant up to 13 GPa at RT, with only a modest softening before the transition to the high-pressure monoclinic C2/m phase. The wide set of experimental data is well captured by our state-of-the art first-principles anharmonic calculations with the inclusion of van der Waals corrections in the exchange-correlation functional. The comprehensive description of the electronic and dynamical properties of VSe$_2$ reported here adds important pieces of information to the understanding of the electronic modulations in the family of transition-metal dichalcogenides. |
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| 999 | C | 5 | |a 10.1103/PhysRevB.70.094112 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1107/S0021889801002242 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1063/1.5143061 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.77.3865 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/s41535-019-0194-8 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.89.064302 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.96.014111 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.97.214101 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.98.024106 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/1361-648X/ac066b |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |y 1987 |2 Crossref |t Fluid Mechanics |o Fluid Mechanics 1987 |
| 999 | C | 5 | |a 10.1038/s41586-020-1955-z |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.122.075901 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.100.214307 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/acs.nanolett.9b00504 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/2053-1583/abae7a |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/acs.nanolett.0c00597 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.103.104305 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevResearch.3.L032017 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/0953-8984/21/39/395502 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/1361-648X/aa8f79 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1002/jcc.20495 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.92.246401 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.40.3616 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/RevModPhys.73.515 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/natrevmats.2017.33 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.26.5756 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.30.5596 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1140/epjst/e2012-01630-3 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1093/oso/9780198858959.001.0001 |1 S. J. Blundell |2 Crossref |9 -- missing cx lookup -- |y 2021 |
| 999 | C | 5 | |a 10.1103/PhysRevB.105.245114 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.68.155108 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.105.L161404 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.106.167003 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.73.205102 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.80.241108 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.21468/SciPostPhys.9.4.056 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1002/aelm.201901427 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevResearch.4.L022009 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.3389/fmats.2021.710849 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.102.086402 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.97.235122 |9 -- missing cx lookup -- |2 Crossref |
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