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Calculation of B K–V x-ray emission spectra of boron nitrides

✍ Scribed by Takahiro Kaneyoshi; Hidenori Kohzuki; Yasuji Muramatsu; Yoshiyuki Kowada; Jun Kawai; Muneyuki Motoyama

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
148 KB
Volume
28
Category
Article
ISSN
0049-8246

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✦ Synopsis

The DV-Xa molecular orbital (MO) calculation method was applied to the B K-V x-ray emission spectra of hexagonal (h-), cubic (c-) and wurtzite (w -) type boron nitrides (BN). The calculated B 2p density of states (DOS) was in good agreement with the B K-V x-ray emission. The main peaks and low-energy satellite peaks in the B K-V x-ray emission spectra are due to the B 2p and the B 2p hybridized with N 2s, respectively. The high-energy satellite peak in the B K-V x-ray emission spectra clearly corresponds to the p * sub-band of the B 2p DOS in h-BN. However, the high-energy satellite peak observed in w -BN is not in agreement with the B 2p DOS. It is considered that the high-energy satellite peaks are due to less than four-coordinated B atoms such as have dangling bonds and defects in w -BN. In the B K-V x-ray emission spectra of h-BN, the synthesizing p and s sub-bands of B 2p DOS could explain the polarized emission spectra very well.

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