The research aims to design a new superhydride compound with enhanced superconducting properties at ambient pressure.
Designed the quaternary superhydride LiMgZr2H12 by lithium substitutional doping.
Performed electron-phonon coupling (EPC) calculations to assess stability and superconductivity.
LiMgZr2H12 exhibits a superconducting transition temperature (Tc) of 60.8 K.
The compound is dynamically stable at ambient pressure according to EPC calculations.
Abstract
Inspired by MgZrH 6 , we designed the quaternary superhydride LiMgZr 2 H 12 EPC calculations show that it is dynamically stable at ambient pressure and exhibits a superconducting T c of 60.8 K.