Exploring the high-pressure behavior of superhard tungsten tetraboride

Abstract

In this work, we examine the high-pressure behavior of superhard material candidate WB${}_{4}$ using high-pressure synchrotron x-ray diffraction in a diamond anvil cell up to 58.4 GPa. The zero-pressure bulk modulus, ${K}_{0}$, obtained from fitting the pressure-volume data using the second-order Birch-Murnaghan equation of state is 326 $\ifmmode\pm\else\textpm\fi{}$ 3 GPa. A reversible, discontinuous change in slope in the $c/a$ ratio is further observed at \ensuremath{\sim}42 GPa, suggesting that lattice softening occurs in the $c$ direction above this pressure. This softening is not observed in other superhard transition metal borides such as ReB${}_{2}$ compressed to similar pressures. Speculation on the possible relationship between this softening and the orientation of boron-boron bonds in the $c$ direction in the WB${}_{4}$ structure is included. Finally, the shear and Young's modulus values are calculated using an isotropic model based on the measured bulk modulus and an estimated Poisson's ratio for WB${}_{4}$.