First-principles calculations of band structures and dynamic optical properties of CsCdBr 3 and RbCdI 3 · H 2O crystals

Shuping Huang, W. D. Cheng, D. S. Wu, X. D. Li, Y. Z. Lan, F. F. Li, J. Shen, H. Zhang, Y. J. Gong

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

We report the band structures as well as frequency-dependent (dynamic) linear and nonlinear optical properties of CsCdBr3 and RbCdI3 · H2 O crystals calculated within density functional theory with a nonlocal gradient correction, including the dielectric function, linear and nonlinear refractive indices, frequency doubling, and self-focusing of light. The electronic origin of the optical susceptibilities is described and the critical power of light self-focusing is estimated for these two crystals.

Original languageEnglish (US)
Article number013516
JournalJournal of Applied Physics
Volume99
Issue number1
DOIs
StatePublished - Jan 24 2006

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self focusing
optical properties
crystals
refractivity
density functional theory
magnetic permeability
gradients
electronics

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First-principles calculations of band structures and dynamic optical properties of CsCdBr 3 and RbCdI 3 · H 2O crystals. / Huang, Shuping; Cheng, W. D.; Wu, D. S.; Li, X. D.; Lan, Y. Z.; Li, F. F.; Shen, J.; Zhang, H.; Gong, Y. J.

In: Journal of Applied Physics, Vol. 99, No. 1, 013516, 24.01.2006.

Research output: Contribution to journalArticle

Huang, Shuping ; Cheng, W. D. ; Wu, D. S. ; Li, X. D. ; Lan, Y. Z. ; Li, F. F. ; Shen, J. ; Zhang, H. ; Gong, Y. J. / First-principles calculations of band structures and dynamic optical properties of CsCdBr 3 and RbCdI 3 · H 2O crystals. In: Journal of Applied Physics. 2006 ; Vol. 99, No. 1.
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