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@ARTICLE{Diego:601655,
      author       = {Diego, Josu and Subires, D. and Said, Ayman and Chaney, D.
                      A. and Korshunov, Artem and Garbarino, G. and Diekmann, F.
                      and Mahatha, S. K. and Pardo, V. and Wilkinson, J. M. and
                      Lord, J. S. and Strempfer, Joerg and Bereciartua Perez,
                      Pablo Javier and Francoual, Sonia and Popescu, C. and
                      Tallarida, M. and Dai, J. and Bianco, Raffaello and
                      Monacelli, Lorenzo and Calandra, Matteo and BOSAK, Alexei
                      and Mauri, Francesco and Rossnagel, Kai and Fumega, Adolfo
                      O. and Errea, Ion and Blanco-Canosa, Santiago},
      title        = {{E}lectronic structure and lattice dynamics of $1 {T} −
                      {VS}e_2$ : {O}rigin of the three-dimensional charge density
                      wave},
      journal      = {Physical review / B},
      volume       = {109},
      number       = {3},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {PUBDB-2024-00348},
      pages        = {035133},
      year         = {2024},
      abstract     = {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.},
      cin          = {DOOR ; HAS-User / FS-PETRA-S / FS-SXQM},
      ddc          = {530},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PETRA-S-20210408 /
                      I:(DE-H253)FS-SXQM-20190201},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      FS-Proposal: I-20220825 EC (I-20220825-EC)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      G:(DE-H253)I-20220825-EC},
      experiment   = {EXP:(DE-H253)P-P09-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001174196600011},
      doi          = {10.1103/PhysRevB.109.035133},
      url          = {https://bib-pubdb1.desy.de/record/601655},
}