Novel Laves phase superconductor NbBe2: A theoretical investigation

TL;DR

This paper presents a comprehensive theoretical study of the newly discovered NbBe2 superconductor, analyzing its structural, electronic, thermal, and superconducting properties to understand its behavior as a weakly coupled BCS superconductor.

Contribution

It provides the first detailed theoretical investigation of NbBe2's properties, including electron-phonon interactions, based on first-principle calculations.

Findings

NbBe2 has a maximum Tc of ~2.6 K.

The compound is identified as a weakly coupled BCS superconductor.

Elastic and mechanical properties support its stability.

Abstract

A new Laves phase superconductor NbBe2, prototype with MgCu2, having maximum Tc ~2.6 K has been reported very recently. Based on first-principle calculations, we systematically study the structural, elastic, mechanical, electronic, thermal and superconducting properties of the newly reported superconducting intermetallic compound NbBe2. Finally, we investigate the electron-phonon coupling constant, phonon dispersion curve and density of states which indicates that the compound under study is a weakly coupled BCS superconductor.