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@ARTICLE{Sharma:615328,
      author       = {Sharma, Vikash and Ramakrishnan, Sitaram and SS,
                      Jayakrishnan and Kotla, Surya Rohith and Maiti, Bishal and
                      Eisele, Claudio and AGARWAL, HARSHIT and Noohinejad, Leila
                      and Tolkiehn, Martin and Bansal, Dipanshu and van Smaalen,
                      Sander and Arumugam, Thamizhavel},
      title        = {{R}oom {T}emperature {C}harge {D}ensity {W}ave in a
                      {T}etragonal {P}olymorph of {G}d$_2${O}s$_3${S}i$_5$ and
                      {S}tudy of {I}ts {O}rigin in the {RE}$_2${T}$_3${X}$_5$
                      ({RE} = {R}are {E}arth, {T} = {T}ransition {M}etal, {X} =
                      {S}i, {G}e) {S}eries},
      journal      = {Chemistry of materials},
      volume       = {36},
      number       = {14},
      issn         = {0897-4756},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {PUBDB-2024-06086},
      pages        = {6888-6901},
      year         = {2024},
      abstract     = {Charge density wave (CDW) systems are proposed to exhibit
                      application potential for electronic and optoelectronic
                      devices. However, CDWs often develop at cryogenic
                      temperatures, which hinders their applications. Therefore,
                      identifying new materials that exhibit a CDW state at room
                      temperature is crucial for the development of CDW-based
                      devices. Here, we present a nonlayered tetragonal polymorph
                      of Gd$_2$Os$_3$Si$_5$, which exhibits a CDW state at room
                      temperature. Gd$_2$Os$_3$Si$_5$ assumes the tetragonal
                      Sc$_2$Fe$_3$Si$_5$ structure type with the space group
                      P4/mnc. Single-crystal X-ray diffraction (SXRD) analysis
                      shows that Gd$_2$Os$_3$Si$_5$ possesses an incommensurately
                      modulated structure with modulation wave vector q = (0.53,
                      0, 0), while the modulation reduces the symmetry to
                      orthorhombic Cccm(σ00)0s0. This differs from isostructural
                      Sm$_2$Ru$_3$Ge$_5$, where the modulated phase has been
                      reported to possess monoclinic symmetry Pm(α0γ)0.
                      Reinvestigation of Sm$_2$Ru$_3$Ge$_5$ suggests that its
                      modulated crystal structure can alternatively be described
                      by Cccm(σ00)0s0, with modulations similar to
                      Gd$_2$Os$_3$Si$_5$. The temperature-dependent magnetic
                      susceptibility indicates an antiferromagnetic transition at
                      T$_N$ ≈ 5.5 K. Furthermore, it shows an anomaly at around
                      345 K, suggesting a CDW transition at T$_{CDW}$ = 345 K, in
                      agreement with high-temperature SXRD measurements. The
                      temperature-dependent electrical resistivity has a maximum
                      at a lower temperature, which we nevertheless identify with
                      the CDW transition and can be described as an
                      insulator-to-metal transition. The calculated electronic
                      band structure indicates q-dependent electron–phonon
                      coupling as the dominant mechanism of CDW formation in
                      tetragonal Gd$_2$Os$_3$Si$_5$. The modulated structure then
                      indicates a major involvement of the Si$_2$a atom in the CDW
                      modulations. Compounds RE$_2$T$_3$X$_5$ (RE = rare earth, T
                      = transition metal, X = Si, Ge) have been reported with
                      either the tetragonal Sc$_2$Fe$_3$Si$_5$ structure type or
                      the orthorhombic U$_2$Co$_3$Si$_5$ structure type. Not all
                      of these compounds undergo CDW phase transitions. We find
                      that RE$_2$T$_3$X$_5$ compounds will exhibit a CDW
                      transition if the
                      condition0.526<𝑐/𝑎𝑏⎯⎯⎯⎯√<0.543 is
                      satisfied.},
      cin          = {DOOR ; HAS-User / FS-PET-D},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PET-D-20190712},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      FS-Proposal: I-20220188 (I-20220188)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      G:(DE-H253)I-20220188},
      experiment   = {EXP:(DE-H253)P-P24-20150101},
      typ          = {PUB:(DE-HGF)16},
      eprint       = {2403.08660},
      howpublished = {arXiv:2403.08660},
      archivePrefix = {arXiv},
      SLACcitation = {$\%\%CITATION$ = $arXiv:2403.08660;\%\%$},
      UT           = {WOS:001275272900001},
      doi          = {10.1021/acs.chemmater.4c00925},
      url          = {https://bib-pubdb1.desy.de/record/615328},
}