Elimination of vacancies in titanium monoxide under high pressure in combination with high temperature

The material design with controlled structure was performed on titanium monoxide with structural vacancies on both sublattices. The polycrystalline powder of disordered titanium monoxide TiO0.98 with B1 structure was subjected to high pressures up to 60 kbar and high temperatures up to 2273 K. The X-ray powder diffraction of as-prepared and treated powders revealed cubic singlephase crystals. The lattice constant of this phase increased from 417.6(3) to 418.5(3) pm due to decreasing vacancy concentration on the titanium sublattice from 13.3 to 8.5 at.% after a highest pressure-highest temperature treatment for 1 h. Graphical abstract Vacancy concentration on the titanium sublattice 1x/at.% 0 5 10 15 20 25 a B 1 /p m