Zhi-Hong Zhang, Shao-Yi Wu, Pei Xu, “Theoretical investigations of the $g$ factors and the hyperfine structure constants of the Cr$^{4+}$ and Mn$^{5+}$ centrs in silicon”, Физика и техника полупроводников, 2011, том 45, выпуск 5,страницы 587

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Theoretical investigations of the $g$ factors and the hyperfine structure constants of the Cr$^{4+}$ and Mn$^{5+}$ centrs in silicon

Zhi-Hong Zhang^a, Shao-Yi Wu^ab, Pei Xu^a

^a Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054 P.R. China
^b International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang, 110016 P.R. China

Аннотация: The $g$ factors and the hyperfine structure constants of the Cr$^{4+}$ and Mn$^{5+}$ centers in silicon are theoretically investigated using the perturbation formulas of these parameters for 3$d^2$ ions in tetrahedra. In the calculations, both the contributions from the crystal-field and charge transfer mechanisms are taken into account based on the cluster approach. The calculated results show agreement with the observed values. It is found that the relative importance of the charge transfer contributions to the $g$-shift $\Delta_g=g-g_s$ (where $g_s$ = 2.0023 is the spin-only value) increases significantly with increasing the valence state of the impurity ion.

Поступила в редакцию: 14.09.2010
Принята в печать: 02.11.2010

Язык публикации: английский