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Publikováno v:
呉工業高等専門学校研究報告. 69:51-57
Electronic structures of nonlinear optical Sr_2Be_2B_2O_7 crystals have been studied by means of DV Xa method. It is found that the top region of valence band consists of mainly B- and O-2p wave functions, while 2s and 2p wave functions of Be and B a
Publikováno v:
呉工業高等専門学校研究報告. 67:23-29
Electronic structures of nonlinear optical K_2Be_2BO_3F_2 crystals have been studied by means of DV-Xα method. It is found that the top region of valence band consists of mainly F-, B- and O-2p wave functions. The effective covalent bond charges are