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

IMR OpenIR

	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
	2011
发表期刊	Physica Scripta
ISSN	0031-8949
卷号	84 期号:6
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.
部门归属	[li, li-li; wu, shao-yi; song, bo-tao; wang, xue-feng] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;li, ll (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;llli85@163.com
关键词	Electron-paramagnetic-resonance Transition-metal Impurities Atomic Screening Constants Optical-properties Defect Structures Scf Functions Crystals Ions Nanocrystals Semiconductor
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30472
专题	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).