Exchange charge model calculations of crystal field parameters and crystal field energy levels for [N(CH3)4]2CoCl4 and [N(CH3)4]2MnCl4 single crystals

M. G. Brik; A. El-Korashy; M. Almokhtar

doi:10.1016/j.jallcom.2007.05.040

Exchange charge model calculations of crystal field parameters and crystal field energy levels for [N(CH₃)₄]₂CoCl₄ and [N(CH₃)₄]₂MnCl₄ single crystals

M. G. Brik^*
, A. El-Korashy
, M. Almokhtar

^*Corresponding author for this work

Kyoto University
Faculty of Science

Research output: Contribution to journal › Article › peer-review

11 Citations (Scopus)

Abstract

Complex study of [N(CH₃)₄]₂MCl₄ (M = Co, Mn) crystals (crystal growth, optical spectroscopy, crystal field analysis) is presented. Exchange charge model of crystal field was used to calculate the crystal field parameters (CFPs) and energy levels for both Co²⁺ and Mn²⁺ ions. Effects of the covalent bond formation between Co²⁺(Mn²⁺) and Cl^- ions are treated from the point of view of overlap of the corresponding wave functions. Dependence of the CFPs values on the number of ions included into the crystal lattice summation was analyzed. Comparison between the calculated energy levels and corresponding absorption spectra is discussed; on the basis of the calculations, assignment of the absorption bands in the experimental spectra was done.

Original language	English
Pages (from-to)	71-77
Number of pages	7
Journal	Journal of Alloys and Compounds
Volume	459
Issue number	1-2
DOIs	https://doi.org/10.1016/j.jallcom.2007.05.040
Publication status	Published - 14 Jul 2008
Externally published	Yes

Keywords

Crystal growth
Light absorption and reflection

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10.1016/j.jallcom.2007.05.040

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title = "Exchange charge model calculations of crystal field parameters and crystal field energy levels for [N(CH3)4]2CoCl4 and [N(CH3)4]2MnCl4 single crystals",

abstract = "Complex study of [N(CH3)4]2MCl4 (M = Co, Mn) crystals (crystal growth, optical spectroscopy, crystal field analysis) is presented. Exchange charge model of crystal field was used to calculate the crystal field parameters (CFPs) and energy levels for both Co2+ and Mn2+ ions. Effects of the covalent bond formation between Co2+(Mn2+) and Cl- ions are treated from the point of view of overlap of the corresponding wave functions. Dependence of the CFPs values on the number of ions included into the crystal lattice summation was analyzed. Comparison between the calculated energy levels and corresponding absorption spectra is discussed; on the basis of the calculations, assignment of the absorption bands in the experimental spectra was done.",

keywords = "Crystal growth, Light absorption and reflection",

author = "Brik, \{M. G.\} and A. El-Korashy and M. Almokhtar",

year = "2008",

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doi = "10.1016/j.jallcom.2007.05.040",

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TY - JOUR

T1 - Exchange charge model calculations of crystal field parameters and crystal field energy levels for [N(CH3)4]2CoCl4 and [N(CH3)4]2MnCl4 single crystals

AU - Brik, M. G.

AU - El-Korashy, A.

AU - Almokhtar, M.

PY - 2008/7/14

Y1 - 2008/7/14

N2 - Complex study of [N(CH3)4]2MCl4 (M = Co, Mn) crystals (crystal growth, optical spectroscopy, crystal field analysis) is presented. Exchange charge model of crystal field was used to calculate the crystal field parameters (CFPs) and energy levels for both Co2+ and Mn2+ ions. Effects of the covalent bond formation between Co2+(Mn2+) and Cl- ions are treated from the point of view of overlap of the corresponding wave functions. Dependence of the CFPs values on the number of ions included into the crystal lattice summation was analyzed. Comparison between the calculated energy levels and corresponding absorption spectra is discussed; on the basis of the calculations, assignment of the absorption bands in the experimental spectra was done.

AB - Complex study of [N(CH3)4]2MCl4 (M = Co, Mn) crystals (crystal growth, optical spectroscopy, crystal field analysis) is presented. Exchange charge model of crystal field was used to calculate the crystal field parameters (CFPs) and energy levels for both Co2+ and Mn2+ ions. Effects of the covalent bond formation between Co2+(Mn2+) and Cl- ions are treated from the point of view of overlap of the corresponding wave functions. Dependence of the CFPs values on the number of ions included into the crystal lattice summation was analyzed. Comparison between the calculated energy levels and corresponding absorption spectra is discussed; on the basis of the calculations, assignment of the absorption bands in the experimental spectra was done.

KW - Crystal growth

KW - Light absorption and reflection

UR - https://www.scopus.com/pages/publications/43549088369

U2 - 10.1016/j.jallcom.2007.05.040

DO - 10.1016/j.jallcom.2007.05.040

M3 - Article

AN - SCOPUS:43549088369

SN - 0925-8388

VL - 459

SP - 71

EP - 77

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

IS - 1-2

ER -

Exchange charge model calculations of crystal field parameters and crystal field energy levels for [N(CH₃)₄]₂CoCl₄ and [N(CH₃)₄]₂MnCl₄ single crystals

Abstract

Keywords

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