Characterization of a Li₄TiO₄ Tritium Breeder by First-Principles Calculation and an Experimental Approach

A tetralithium titanium (Li4TiO4) compound is a tritium breeder material that deserves serious consideration for the fusion reactor blanket concept because of its high lithium density. In the current research, an experimental investigation was conducted for the first time to verify the calculated simulation results. First, the lattice parameters, energy band structures, and thermodynamic properties of Li4TiO4 are investigated by means of first-principles density functional theory. Then, the Li4TiO4 powder was synthesized via a solid-state reaction. Subsequently, the samples were systematically characterized using various measurement techniques. The products of the ultraviolet diffuse reflection spectrum, Raman spectroscopy, and laser thermal conductivity are consistent with the theoretical calculations.