Theoretical investigation of the spin Hamiltonian parameters and local structure and their concentration dependences for Cd(1-x)Mn(x)S quantum dots

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	Theoretical investigation of the spin Hamiltonian parameters and local structure and their concentration dependences for Cd(1-x)Mn(x)S quantum dots
	L. L. Li ; S. Y. Wu ; B. T. Song ; X. F. Wang
刊名	Physica Scripta
	2011
卷号	84 期号:6
关键词	electron-paramagnetic-resonance transition-metal impurities atomic screening constants optical-properties defect structures scf functions crystals ions nanocrystals semiconductor
ISSN号	0031-8949
中文摘要	The spin Hamiltonian parameters (zero-field splitting D, g factors and hyperfine structure constants) and local structure as well as their concentration dependences for Cd(1-x)Mn(x)S quantum dots are theoretically investigated from the perturbation formulae of these parameters for a 3d(5) ion under trigonally distorted tetrahedra. The impurity Mn(2+) is found not to occupy exactly the host Cd(2+) site in the CdS quantum dots but to experience an inward displacement 0.041 angstrom towards the ligand triangle along the C(3)-axis because of the size mismatching substitution and the internal stress. As compared with bulk CdS : Mn(2+), the larger impurity displacement and stronger Mn(2+) 3d-3s orbital admixture in the Cd(1-x)Mn(x)S quantum dots suitably account for the higher zero-field splitting and hyperfine structure constant, respectively. The impurity axial displacement and the Mn(2+) 3d-3s orbital admixture in the Cd(1-x)Mn(x)S quantum dots may exhibit an approximately cubic increase with increasing the Mn concentration x from 0.001 to 0.15.
原文出处	://WOS:000298181300031
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/30472]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	L. L. Li,S. Y. Wu,B. T. Song,et al. Theoretical investigation of the spin Hamiltonian parameters and local structure and their concentration dependences for Cd(1-x)Mn(x)S quantum dots[J]. Physica Scripta,2011,84(6).
APA	L. L. Li,S. Y. Wu,B. T. Song,&X. F. Wang.(2011).Theoretical investigation of the spin Hamiltonian parameters and local structure and their concentration dependences for Cd(1-x)Mn(x)S quantum dots.Physica Scripta,84(6).
MLA	L. L. Li,et al."Theoretical investigation of the spin Hamiltonian parameters and local structure and their concentration dependences for Cd(1-x)Mn(x)S quantum dots".Physica Scripta 84.6(2011).