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Electronic mechanism of pressure-enhanced superconductivity in scandium

Xinrui Jia1, Xin Zhong1,*, and Hanyu Liu1,2,3,†

  • 1Key Laboratory of Material Simulation Methods and Software of Ministry of Education, College of Physics, Jilin University, Changchun 130012, China
  • 2State Key Laboratory of High Pressure and Superhard Materials, International Center of Future Science, Jilin University, Changchun 130012, China
  • 3Institute of Quantum Science and Technology, Yanbian University, Yanji 133002, China

  • *Contact author: zx777@jlu.edu.cn
  • †Contact author: hanyuliu@jlu.edu.cn

Phys. Rev. B 114, L140502 – Published 8 September, 2026

DOI: https://doi.org/10.1103/v5j2-9bv6

Abstract

Under compression, elemental scandium (Sc) exhibits a remarkable monotonic increase in superconducting critical temperature (Tc), at a pressure of 240 GPa, reaching up to 37.6 K—the highest Tc reported for all elemental solids to date. However, its electronic origin underlying this enhancement has remained elusive. Here, by combining first-principles calculations with an analysis of existing superconducting data, we elucidate the electronic mechanism driving pressure-enhanced superconductivity in the crystal structure Sc-III, Sc-IV, and Sc-V. Our in-depth analysis reveals that the increase in Tc is intrinsically governed by progressive d-band broadening. Contrary to the conventional view of localized d electrons, extreme pressure induces a substantial interatomic 3d−3d orbital overlap. By evaluating the Kohn-Sham potential barrier, we demonstrate that compression drives the 3d electrons to exhibit electronic behaviors analogous to those of s and p electrons toward a nearly free-electron regime, which naturally explains the strong electron-phonon coupling responsible for the rising Tc. Our work establishes a direct electronic descriptor for superconductivity in compressed Sc and provides a general framework for understanding pressure-induced phenomena in d-block metals.

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