Pressure-Induced Changes in the Crystal Structure and Electrical Conductivity of GeV4S8.
Chem Mater
; 36(7): 3128-3137, 2024 Apr 09.
Article
em En
| MEDLINE
| ID: mdl-38617806
ABSTRACT
Lacunar spinels, represented by AM4X8 compounds (A = Ga or Ge; M = V, Mo, Nb, or Ta; X = S or Se), form a unique group of ternary chalcogenide compounds. Among them, GeV4S8 has garnered significant attention due to its distinctive electrical and magnetic properties. While previous research efforts have primarily focused on studying how this material behaves under cooling conditions, pressure is another factor that determines the state and characteristics of solid matter. In this study, we employed a diamond anvil cell in conjunction with high-energy synchrotron X-ray diffraction, Raman spectroscopy, four-point probes, and theoretical computation to thoroughly investigate this material. We found that the structural transformation from cubic to orthorhombic was initiated at 34 GPa and completed at 54 GPa. Through data fitting of volume vs pressure, we determined the bulk moduli to be 105 ± 4 GPa for the cubic phase and 111 ± 12 GPa for the orthorhombic phase. Concurrently, electrical resistance measurements indicated a semiconductor-to-nonmetallic conductor transition at â¼15 GPa. Moreover, we experimentally assessed the band gaps at different pressures to validate the occurrence of the electrical phase transition. We infer that the electrical phase transition correlates with the valence electrons in the V4 cluster rather than the crystal structure transformation. Furthermore, the computational results, electronic density of states, and band structure verified the experimental observation and facilitated the understanding of the mechanism governing the electrical phase transition in GeV4S8.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Chem Mater
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
Estados Unidos