0000000000661467
AUTHOR
Jiahan Li
Phonons of hexagonal BN under pressure: Effects of isotopic composition
Raman scattering experiments on isotopically enriched hexagonal boron nitride have been performed under pressure up to 11 GPa at room temperature. The sublinear increase of the Raman-active E2g mode frequencies has been characterized. The pressure behavior has been analyzed by means of a bond-stiffness–bond-length scaling parameter γ which takes into consideration the vast differences in a- and c-axis compressibilities. The interlayer shear mode exhibits a γ parameter similar to that of graphite, and the mode frequency in isotopically pure samples separates faster at low pressures as a result of van der Waals interactions. Because of the extremely low a-axis compressibility, the intralayer …
Pressure dependence of the interlayer and intralayer E2g Raman-active modes of hexagonal BN up to the wurtzite phase transition
We present a Raman-scattering study of the interlayer and intralayer ${E}_{2g}$ Raman-active modes of hexagonal boron nitride $(h\ensuremath{-}\mathrm{BN})$ under hydrostatic pressure for pressures up to the transition to the wurtzite phase (10.5 GPa). Pressure coefficients and Gr\"uneisen parameters are determined for both modes, and are compared to ab initio calculations based on density functional perturbation theory. The pressure coefficient of the low-energy interlayer mode is higher than that of the high-energy intralayer mode owing to the large compressibility of the $h\ensuremath{-}\mathrm{BN}$ crystal along the $c$ direction. Both modes exhibit a sublinear phonon frequency increase…