Phase Boundaries, Isotope Effect and Superconductivity of Lithium Under Hydrostatic Conditions

TL;DR

This study combines theoretical and experimental approaches to explore the structural phase boundaries and superconducting properties of lithium isotopes under high pressure and low temperature conditions.

Contribution

It provides a detailed phase diagram of lithium isotopes under hydrostatic pressure and temperature, revealing isotope-dependent shifts and elucidating superconductivity mechanisms through density functional theory.

Findings

Identified FCC-hR1-cI16 phase transitions in lithium.

Observed isotope-dependent shifts in phase boundaries.

Analyzed superconducting properties via electron density topology.

Abstract

We present theoretical and experimental studies of superconductivity and low temperature structural phase boundaries in lithium. We mapped the structural phase diagram of 6Li and 7Li under hydrostatic conditions between 5 top 55GPa and within the temperature range of 15 to 75K, observing the FCC-hR1-cI16 phase transitions. 6Li and 7Li show some differences at the structural boundaries, with a potential shift of the phase boundaries of 6Li to lower pressures. Density functional theory calculations and topological analysis of the electron density elucidates the superconducting properties and interatomic interactions within these phases of lithium.