Electronic Structure of Nonlinear Optical K_2Be_2B0_3F_2 Crystals

Jazyk:	japonština
Rok vydání:	2005
Předmět:	KBBF エネルギー準位図 DV-Xα分子軌道法 電子密度分布図 非線形光学結晶 状態密度図 有効共有結合電荷
Zdroj:	呉工業高等専門学校研究報告. 67:23-29
ISSN:	0286-4037
Popis:	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 mostly localized on the B-O bonds, which is consistent with the fact that the (BO_3)^ molecular ions play important role for the optical nonlinearity. The KBBF crystals are expected to be useful for the production of entangled photon pairs in UV-region by using spontaneous parametric up- and down conversions.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=jairo_______::908ca63f0634cf622f5126c13f30f12c http://harp.lib.hiroshima-u.ac.jp/kure-nct/metadata/8483 Zobrazit plný text záznamu