Research output: Contribution to journal › Article › peer-review
Local deformation in hexagonal boron nitride crystal near the B K-shell π-excitation. / Pavlychev, A. A.; Franke, R.; Bender, St; Hormes, J.
In: Journal of Physics Condensed Matter, Vol. 10, No. 9, 09.03.1998, p. 2181-2189.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Local deformation in hexagonal boron nitride crystal near the B K-shell π-excitation
AU - Pavlychev, A. A.
AU - Franke, R.
AU - Bender, St
AU - Hormes, J.
PY - 1998/3/9
Y1 - 1998/3/9
N2 - Theoretical and experimental studies of the B K-shell absorption near the π-excitation in hexagonal boron nitride were carried out. The absorption spectrum over the interval 191.5-193.5 eV was analysed in the framework of the quasi-atomic model with respect to its molecular simulation 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 ground-state symmetry due to out-of-plane displacements of core-excited boron atoms in a basal plane (0.16 Å). The comparison with the experimental B K-shell absorption spectra for the metastable incoherent phase BN and defect-containing BN crystals supports this polaron mechanism. Methods for the description of the x-ray absorption in solids taking into account the related atomic rearrangement are discussed.
AB - Theoretical and experimental studies of the B K-shell absorption near the π-excitation in hexagonal boron nitride were carried out. The absorption spectrum over the interval 191.5-193.5 eV was analysed in the framework of the quasi-atomic model with respect to its molecular simulation 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 ground-state symmetry due to out-of-plane displacements of core-excited boron atoms in a basal plane (0.16 Å). The comparison with the experimental B K-shell absorption spectra for the metastable incoherent phase BN and defect-containing BN crystals supports this polaron mechanism. Methods for the description of the x-ray absorption in solids taking into account the related atomic rearrangement are discussed.
UR - http://www.scopus.com/inward/record.url?scp=0011817013&partnerID=8YFLogxK
U2 - 10.1088/0953-8984/10/9/020
DO - 10.1088/0953-8984/10/9/020
M3 - Article
AN - SCOPUS:0011817013
VL - 10
SP - 2181
EP - 2189
JO - Journal of Physics Condensed Matter
JF - Journal of Physics Condensed Matter
SN - 0953-8984
IS - 9
ER -
ID: 43209354