Electronic topological transitions in Cd at high pressures

TL;DR

This study uses density-functional theory to investigate pressure-induced electronic topological transitions in cadmium up to 40 GPa, revealing Fermi surface topology changes and associated anomalies in structural and elastic properties.

Contribution

It provides detailed theoretical predictions of electronic topological transitions in Cd at high pressures, encouraging experimental verification.

Findings

Fermi surface topology changes at 2, 8, 12, 18, and 28 GPa

Anomalies in structural parameters and elastic constants at ETTs

Equation of state matches experimental data at 300 K

Abstract

Pressure-induced changes in the Fermi surface of Cd up to 40 GPa are studied using highly accurate density-functional theory calculations. The topology of Fermi surface changes at pressures of 2, 8, 12 , 18 and 28 GPa indicating electronic topological transitions (ETTs). Structural parameters, compressibility data and elastic constant reveal anomalies across these ETTs. The computed equation of state at 300 K is in excellent agreement with the experimental data. In view of the highly controversial nature of these ETTs the present studies are aimed at motivating the experimentalists for their direct detection at high pressures.