Computes the finite-temperature static spin XC kernel K_xc(q;T) for the unpolarized uniform electron gas across quantum-degenerate to classical regimes.
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Calculations find a hidden chiral ferroelectric R3 ground state in silver niobate with natural optical activity comparable to quartz.
The study identifies a previously unreported 1×2 surface reconstruction on β-Ga₂O₃(001) formed by paired GaO₄ tetrahedra that remains stable across wide oxygen and gallium chemical potential ranges and matches experimental STEM images.
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Finite-Temperature Spin Exchange-Correlation Kernel of the Uniform Electron Gas
Computes the finite-temperature static spin XC kernel K_xc(q;T) for the unpolarized uniform electron gas across quantum-degenerate to classical regimes.
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The hidden ferroelectric chiral ground state of silver niobate
Calculations find a hidden chiral ferroelectric R3 ground state in silver niobate with natural optical activity comparable to quartz.
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$\beta$-Ga$_2$O$_3$(001) surface reconstructions from first principles and experiment
The study identifies a previously unreported 1×2 surface reconstruction on β-Ga₂O₃(001) formed by paired GaO₄ tetrahedra that remains stable across wide oxygen and gallium chemical potential ranges and matches experimental STEM images.