The decisive role of hybridized electronic states on the appearance of superconductivity in Ba1-xKxMO3 (X=Bi, Sb) - Laboratoire de cristallographie et sciences des matériaux
Article Dans Une Revue Physical Review B Année : 2024

The decisive role of hybridized electronic states on the appearance of superconductivity in Ba1-xKxMO3 (X=Bi, Sb)

Résumé

The observation of superconductivity in hole doped antimonates Ba1-xKxSbO3 (BKSO), isoelectronic compounds to bismuthates Ba1-xKxBiO3 (BKBO) superconductors, enables a pathway to clarify the role of hybridizations between electronic states of metals and ligands on the emergence of superconductivity. Herein, using first-principles simulations, the localized electronic structure of antimonates is demonstrated to produce various charge and bond orderings (CBO) up to x=0.6, hence hindering the appearance of a superconducting state. This is in contrast with bismuthates where the formation of charge orderings is suppressed by doping effects and their native hybridized electronic structure. Although quenched by doping effects, the CBO mediate the Cooper pairs formation and the resulting electron-phonon coupling reproduces the experimental facts such as a larger Tc in BKSO than in BKBO for x>0.65 and a maximal Tc of ~30K observed at x=0.4-0.5 for BKBO. The latter point is ascribed to a soft phonon mode at x=0.5 while the former observation is ascribed to an intrinsically stronger coupling between lattice distortions and electrons in BaSbO3. Although materials with a localized electronic structure could warrant larger Tc's, the main drawback is the resilience of such compounds to form a metallic state and hence superconductivity emerges far away of soft phonons possessing a strong coupling with the electronic structure.

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Dates et versions

hal-04705025 , version 1 (22-09-2024)

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Julien Varignon. The decisive role of hybridized electronic states on the appearance of superconductivity in Ba1-xKxMO3 (X=Bi, Sb). Physical Review B, 2024, 110 (12), pp.125120. ⟨10.1103/PhysRevB.110.125120⟩. ⟨hal-04705025⟩
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