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Studies of the g Factors and the Hyperfine Structure Constants for the Octahedral Interstitial Mn2+ and Cr+ Impurities in Silicon
B. T. Song; S. Y. Wu; Z. H. Zhang; L. L. Li
2013
Source PublicationZeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
ISSN0932-0784
Volume68Issue:5Pages:337-342
AbstractThe g factors and the hyperfine structure constants for the octahedral interstitial Mn2+ and Cr+ impurities in silicon are theoretically studied using the perturbation formulas of these parameters for an octahedral 3d(5) cluster. In the calculations, both the crystal-field and charge transfer contributions are taken into account in a uniform way, and the related molecular orbital coefficients are quantitatively determined from the cluster approach. The theoretical g factors and the hyperfine structure constants are in good agreement with the experimental data. The charge transfer contribution to the g-shift (approximate to g - g(s), where g(s) approximate to 2.0023 is the spin only value) is opposite (positive) in sign and about 51%-116% in magnitude as compared with the crystal-field one for Mn2+ and Cr+, respectively. Nevertheless, the charge transfer contribution to the hyperfine structure constant has the same sign and about 12%-19% that of the crystal-field one. Importance of the charge transfer contribution shows the order Cr+ < Mn2+ due to increase of the impurity valence state in the same host, especially for the g factor.
description.department[song, bo-tao ; wu, shao-yi ; zhang, zhi-hong ; li, li-li] univ elect sci & technol china, sch phys elect, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; song, bt (reprint author), univ elect sci & technol china, sch phys elect, chengdu 610054, peoples r china. ; btsong1@gmail.com
KeywordElectron Paramagnetic Resonance Defect And Impurities Mn2++ Cr++ Silicon Transition-metal Impurities Spin-hamiltonian Parameters Atomic Screening Constants Optical-spectra Scf Functions Ions Semiconductors Co
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Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/71465
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
B. T. Song,S. Y. Wu,Z. H. Zhang,et al. Studies of the g Factors and the Hyperfine Structure Constants for the Octahedral Interstitial Mn2+ and Cr+ Impurities in Silicon[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2013,68(5):337-342.
APA B. T. Song,S. Y. Wu,Z. H. Zhang,&L. L. Li.(2013).Studies of the g Factors and the Hyperfine Structure Constants for the Octahedral Interstitial Mn2+ and Cr+ Impurities in Silicon.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,68(5),337-342.
MLA B. T. Song,et al."Studies of the g Factors and the Hyperfine Structure Constants for the Octahedral Interstitial Mn2+ and Cr+ Impurities in Silicon".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 68.5(2013):337-342.
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