Aa. Pavlychev et al., LOCAL DEFORMATION IN HEXAGONAL BORON-NITRIDE CRYSTAL NEAR THE B K-SHELL PI-EXCITATION, Journal of physics. Condensed matter, 10(9), 1998, pp. 2181-2189
Theoretical and experimental studies of the B K-shell absorption near
the pi-excitation in hexagonal boron nitride were carried out. The abs
orption spectrum over the interval 191.5-193.5 eV was analysed in the
framework of the quasi-atomic model with respect to its molecular simu
lation and for the features of its recombination. Our analysis points
to the appearance of local deformations in the crystal lattice around
a core-excited atom which are mainly created by the breaking of the gr
ound-state symmetry due to out-of-plane displacements of core-excited
boron atoms in a basal plane (0.16 Angstrom). The comparison with the
experimental B K-shell absorption spectra for the metastable incoheren
t phase BN and defect-containing BN crystals supports this polaron mec
hanism. Methods for the description of the x-ray absorption in solids
taking into account the related atomic rearrangement are discussed.