Discovery of superconductivity in technetium borides at moderate pressures

Phys Chem Chem Phys. 2024 May 14. doi: 10.1039/d4cp00191e. Online ahead of print.

Abstract

Advances in theoretical calculations have boosted the search for high-temperature superconductors, such as sulfur hydrides and rare-earth polyhydrides. However, the required extremely high pressures for stabilizing these superconductors has handicapped further implementation. Based upon thorough structural searches, we identified a series of unprecedented superconducting technetium borides at moderate pressures, including TcB (P63/mmc) with a superconducting transition temperature of Tc = 20.2 K at ambient pressure and TcB2 (P6/mmm) with Tc = 23.1 K at 20 GPa. Superconductivity in these technetium borides mainly originates from the coupling between the low-frequency vibrations of technetium atoms and the dominant technetium-4d electrons at the Fermi level. Our work therefore presents a fresh group in the family of superconducting borides, whose diversified crystal structures suggest rich possibilities in the discovery of other superconducting transition-metal borides.