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ELECTRONIC STRUCTURE OF (B3O6) -3 CLUSTER AND ULTRAVIOLET ABSORPTION OF β-BaB2O4 CRYSTALS |
| HUANG Jin;WANG Dingsheng |
| Institute of Physics, Academia Sinica, Beijing |
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| Cite this article: |
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HUANG Jin, WANG Dingsheng 1986 Chin. Phys. Lett. 3 157-160 |
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Abstract The electronic structure and the electric dipole matrix elements of (B3O6) -3 cluster are calculated by multiple scattering Xα(MSXα) method. The ultraviolet absorption of β-BaB2O4 crystal is determined from the above calculation, and the absorption edge (about 2000Å) thus estimated is in good agreement with the experimental measurement.
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Published: 01 April 1986
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