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Pressure-induced structural and electronic phase transitions in GaGeTe
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SYSNO ASEP 0582995 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Pressure-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 number 054107 Source Title Physical Review B. - : American Physical Society - ISSN 2469-9950
Roč. 109, č. 5 (2024)Number of pages 6 s. Language eng - English Country US - United States Keywords electronic structures ; first principles calculations ; infrared spectroscopy Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects GX20-08633X GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UFCH-W - RVO:61388955 UT WOS 001200491500001 EID SCOPUS 85185390392 DOI 10.1103/PhysRevB.109.054107 Annotation Chalcogenide-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. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2025 Electronic address https://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.054107
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