Multimillimeter-sized cubic boron arsenide grown by chemical vapor transport via a tellurium tetraiodide transport agent

Abstract

Cubic boron arsenide (c-BAs) has been predicted to exhibit thermal conductivity values around 1400 W/m-K at room temperature by first-principles calculations and, thus, shows promise to be one of the solutions for the thermal management challenge faced by the semiconductor industry. However, the size of single crystals of c-BAs in reported growth efforts is still less than 1 mm. In addition, the measured thermal conductivity is well below the predicted value due to the presence of defects in the grown crystal. Here we report the growth of c-BAs single crystals up to a few mm by the chemical vapor transport technique based on a TeI4 transport agent under gas pressures up to 8 atm. Raman spectroscopy revealed a sharp P1 phonon mode, suggesting good crystalline quality. High-angle annular dark-field scanning transmission electron microscopy revealed the AsB (As-atom on B) and BAs (B-atom on As) antisite pairs. A bulk thermal conductivity value of 133 ± 17 W/m-K at 300 K was obtained using steady-state comparative measurements. Although the bulk thermal conductivity is still one order of magnitude lower than the calculation, the ability to increase the size of the crystal is an important step toward the synthesis of high quality bulk c-BAs crystals.