TITLE

Multiplet structures of tetrahedrally coordinated Cr[sup 4+] and Cr[sup 5+] in Y[sub 3]Al[sub 5]O[sub 12]

AUTHOR(S)
Ishii, Takugo; Ogasawara, Kazuyoshi; Adachi, Hirohiko; Tanaka, Isao
PUB. DATE
April 2001
SOURCE
Applied Physics Letters;4/9/2001, Vol. 78 Issue 15, p2154
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Multiplet structures of tetrahedrally coordinated Cr[sup 4+] and Cr[sup 5+] in Y[sub 3]Al[sub 5]O[sub 12] (yttrium aluminum garnet) were calculated with use of the ab initio electronic-structure calculation method. The calculated absorption spectrum of Cr[sup 4+] showed that two bands at the near-infrared and visible spectral regions originated from the same [sup 3]T[sub 1] parent multiplet term. The calculated levels originating from Cr[sup 5+] in the near-infrared region overlapped with the levels originating from Cr[sup 4+]. Both the lowest-spin-allowed transitions of Cr[sup 4+] and Cr[sup 5+] were revealed to have the same polarization dependence. The result indicated that confusion on the assignment of the peaks could be ignored if the Cr[sup 5+] state really exists.
ACCESSION #
4710530

 

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