Ab Initio Calculation of Charge-Transfer Absorption in CaF2 and SrF2 Crystals With Eu3+ and Yb3+ Impurities

被引：6

作者：

Myasnikova, Alexandra ^{[1
]}

Radzhabov, Evgeny ^{[1
]}

Mysovsky, Andrey ^{[1
]}

机构：

[1] Russian Acad Sci, AP Vinogradov Geochem Inst, Siberian Branch, Irkutsk 664033, Russia

来源：

IEEE TRANSACTIONS ON NUCLEAR SCIENCE | 2010年 / 57卷 / 03期

关键词：

Alkali-earth fluoride; charge transfer; embedded cluster approach; Eu3+-doping; Yb3+-doping; ENERGIES; EFFICIENT; ATOMS;

D O I：

10.1109/TNS.2009.2035698

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

In this paper we present the results of ab initio calculations of charge-transfer absorption bands in Eu3+ and Yb3+-doped CaF2 and SrF2 crystals, which are due to transitions from the top of valence band to 4f state of trivalent rare-earth ion. The density-functional theory calculations have been performed in embedded-cluster approach. It was shown that low-energy absorption band is caused by charge-transfer transitions between 2p-states of interstitial fluorine and 4f state of the impurity ion.

引用

页码：1193 / 1195

页数：3

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