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Molecular Mott state in the deficient spinel <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>GaV</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>8</mml:mn></mml:msub></mml:mrow></mml:math>
In this study, we investigated theoretically the Mott-insulating phase of a deficient spinel chalcogenide ${\mathrm{GaV}}_{4}{\mathrm{S}}_{8}$, which is known to form a tetrahedral ${\mathrm{V}}_{4}{\mathrm{S}}_{4}$ cluster unit that results in molecular orbitals (MOs) with a narrow bandwidth in the noninteracting limit. We used a cluster extension of charge self-consistent embedded dynamical mean-field …