Phase diagram exploration of Tc–Al–B: from bulk Tc₂AlB₂ to two-dimensional Tc₂B₂

Abstract

In this study, the ternary phase diagram of Tc-Al-B system is constructed by a combination of evolutionary algorithm and density functional theory calculations. Four novel phases are predicted, including three...

Discovery of superconductivity in technetium borides at moderate pressures

“…[49][50][51][52] First-principle calculations have predicted a stable structure of ternary compound Tc 2 AlB 2 with Cmcm symmetry at ambient pressure. 53 Recently, technetium hydrides were theoretically predicted and then experimentally synthesized under high pressure. 54,55 Technetium borides have been extensively investigated due to their outstanding mechanical properties.…”