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Satellite interstitial electron induced superconductivity of the electride Sc4H under high pressure

Zhiyao Guan, Tian Cui, Da Li

DOI 10.1103/PhysRevB.111.014516 · Physical Review B

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Abstract

High-pressure electride (HPE) superconductors are distinguished from other superconductors by non-nuclear attractors (NNAs), which enable a seemingly paradoxical combination of highly localized electride states and robust superconductivity. However, the superconducting mechanism of HPE superconductors remains poorly understood, particularly the role of NNAs in superconductivity. Here, we take metal-rich Sc4H as a model to study the relationship between NNAs and superconductivity in HPEs through using first-principles calculations. We first identify that satellite interstitial electrons (SIEs) of ions, which span bands across the Fermi level and are linked to ions, are active components of NNAs and significantly affect the HPE electron–phonon coupling. The SIE electron density and interaction with neighboring ions are key determinants for adjusting the high superconducting critical temperatures of HPE superconductors. This finding effectively harmonizes the previously perceived contradictory perspectives on the impact of NNAs on the superconductivity of HPEs and deepens the understanding of the superconducting properties of HPE superconductors.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
Sc4H

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5.7450 GPaunknown

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