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Crystal Field Potential Energy and Minute Interference Matrix Element Calculation on 6-Coordinated Cu2+ in Mineral with Symmetric Conter (PDF)

《地球科学与环境学报》[ISSN:1672-6561/CN:61-1423/P]

Issue:
2005年第04期
Page:
58-62
Research Field:
Publishing date:

Info

Title:
Crystal Field Potential Energy and Minute Interference Matrix Element Calculation on 6-Coordinated Cu2+ in Mineral with Symmetric Conter
Author(s):
HAN Zhao-xin; ZHA NG Jin-g ang; LUAN Li-jun
School of Earth Sciences and Resources Management, Chang’ an University, Xi’ an 710054, China
Keywords:
crystal field;  potential operator;  matrix element calculation;  d-trajectory energy
PACS:
P574
DOI:
-
Abstract:
For the ion model crystals or the crystals in which the ionic bond is dominant, the optic and magnetic features can be interpreted by the crystal field theory. Through the calculation of crystal field minute interference matrix element,the po- sition of crystal field spectra can be defined mensurably. Although some calculation results have been given in literatazes, but the lack of the matrir element calculation procedure is not beneficial for the calculation in any circumstances. This paper de- duces the crystal field potential operator on the mineral which has center of symmetry, calculates the integrated value, and gets the matrix element formula expressed by modulus of Aλx, r2 and r4 . On the bas is of the structure data of turquoise, this paper calculates the modulus Aλxof crystal field minute interference matrix element of Cu2+ and calculate the other ma- trix elements. Through diagonal manipulation of symmetry matrix, as the result, the authors get the d-orbit energy and the position of crystal field spectra of Cu2+ in turquoise. Compared with the experiment datas, they are consistent. Therefore, combined with the experiment datas, this method can illustrate the color forming mechanism of ion crystal.

References:

[1] 李高山 , 李英堂. 量子矿物学[M]. 北京:地质出版社 , 1994.
[2] [苏] A S 马尔福宁. 矿物物理学导论[M]. 李高山译. 北京 :地 质出版社 , 1984.
[3] 韩照信 , 栾丽君. 绿松石呈色的晶体场理论 计算[J] . 地球科学 与环境学报 , 2004 , 26(3):17 20.
[4] Cid-Dres dner H. Determinat ion and ref inemen t of the crys tal s tru cture of turquois[J] . Z K ri st al logr , 1965 , 121(1):87.
[5] Di az J. An ESR and opt ical study of tu rqu oi se[J] . Am Miner, 1971 , 56(05):773.

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