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Pressure-induced structural and electronic phase transitions in GaGeTe

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    SYSNO ASEP0582995
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JČlánek ve WOS
    TitlePressure-induced structural and electronic phase transitions in GaGeTe
    Author(s) Pawbake, Amit (UFCH-W) ORCID, SAI
    Bellin, Ch. (FR)
    Paulatto, L. (FR)
    Narang, D. S. (IN)
    Béneut, K. (FR)
    Baptiste, B. (FR)
    Giura, P. (FR)
    Biscaras, J. (FR)
    Alabarse, F. (IT)
    Late, D. J. (IN)
    Frank, Otakar (UFCH-W) RID, ORCID
    Shukla, A. (FR)
    Article number054107
    Source TitlePhysical Review B. - : American Physical Society - ISSN 2469-9950
    Roč. 109, č. 5 (2024)
    Number of pages6 s.
    Languageeng - English
    CountryUS - United States
    Keywordselectronic structures ; first principles calculations ; infrared spectroscopy
    Subject RIVCF - Physical ; Theoretical Chemistry
    OECD categoryPhysical chemistry
    R&D ProjectsGX20-08633X GA ČR - Czech Science Foundation (CSF)
    Method of publishingLimited access
    Institutional supportUFCH-W - RVO:61388955
    UT WOS001200491500001
    EID SCOPUS85185390392
    DOI10.1103/PhysRevB.109.054107
    AnnotationChalcogenide-based compounds are an important part of the family of layered materials, extensively studied for their two-dimensional properties. An interesting line of investigation relates to the evolution of their properties with hydrostatic pressure, which could lead to structural transitions and itinerant electronic behavior. Here, we investigate the evolution of a layered ternary compound GaGeTe as a function of pressure with x-ray diffraction, Raman and infrared spectroscopy, and ab initio calculations. The Ge layer retains a germanenelike vibration though enveloped in Ga and Te layers. We show experimental and theoretical evidence of metallization in two steps. At ∼6 GPa Raman and infrared spectroscopic data undergo changes compatible with delocalized charge carriers. Calculations ascribe this to the Fermi-level crossing of a valence band. At ∼16 GPa infrared transmission and Raman modes disappear and x-ray diffraction signals a structural transition to a phase which is metallic according to our calculations. We obtain consistent agreement between experiment and theory concerning the structural, vibrational, and electronic structure evolution with pressure.
    WorkplaceJ. Heyrovsky Institute of Physical Chemistry
    ContactMichaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
    Year of Publishing2025
    Electronic addresshttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.054107
Number of the records: 1  

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