scholarly journals Local lattice structure and spin singlet contribution to zero-field splitting of ZnS:Cr2+

2011 ◽  
Vol 60 (8) ◽  
pp. 087601
Author(s):  
Lu Cheng ◽  
Wang Li ◽  
Lu Zhi-Wen ◽  
Song Hai-Zhen ◽  
Li Gen-Quan
Keyword(s):  
Lattice Structure ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Spin Singlet ◽  
Local Lattice ◽  
Singlet Contribution

Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr2+ in CdGa2S4

2009 ◽  
Vol 484 (1-2) ◽  
pp. 472-476 ◽  
Author(s):  
Yang Li ◽  
Xiao-Yu Kuang ◽  
Zhe Li ◽  
Ying Li ◽  
Ming-Liang Gao
Keyword(s):  
Theoretical Study ◽  
Lattice Structure ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Local Lattice

Theoretical study of spin-singlet contributions to zero-field splitting of a 3d6ion in a trigonal ligand field and applications to Fe2+in FeSiF6· 6H2O and FeCO3

2008 ◽  
Vol 106 (24) ◽  
pp. 2677-2683 ◽  
Author(s):  
Zhe Li ◽  
Xiao-Yu Kuang ◽  
Tao-Fen Yang ◽  
Ying Li
Keyword(s):  
Theoretical Study ◽  
Ligand Field ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Spin Singlet

scholarly journals Effects of fine structure of absorption spectrum and spin-singlet on zero-field-splitting parameters for BaCrSi4O10 and AgGaSe2:Cr2+

2016 ◽  
Vol 65 (10) ◽  
pp. 107501
Author(s):  
Tan Xiao-Ming ◽  
Zhao Gang ◽  
Zhang Di
Keyword(s):  
Absorption Spectrum ◽  
Fine Structure ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Spin Singlet

SUPERPOSITION MODEL ANALYSIS FOR THE ZERO-FIELD SPLITTING OFMn2+IN SOME CRYSTALS

2006 ◽  
Vol 20 (30) ◽  
pp. 1917-1922 ◽  
Author(s):  
VIMAL KUMAR JAIN
Keyword(s):  
Lattice Relaxation ◽  
Zero Field ◽  
Superposition Model ◽  
Zero Field Splitting ◽  
Intrinsic Parameter ◽  
Order Zero ◽  
Field Splitting ◽  
Zero Field Splitting Parameter ◽  
Local Lattice ◽  
Splitting Parameter

The Newman superposition model has been applied to second-order zero-field splitting parameter [Formula: see text] taken from the literature for Mn2+in Hg(ClO4)2· 6 H2O , M ″ SiF6·6 H2O (M ″= Fe, Co, Zn ) and M ″ NbOF5·6 H2O (M ″= Co, Zn ). In the calculations, the local lattice relaxation has been taken into account. It is shown that nearly the same value of intrinsic parameter b2=-0.057(8) cm-1is obtained.

The fine structure levels and spin-singlet contributions to zero-field-splitting parameters of Cr2+ion in CdGa2S4

2010 ◽  
Vol 90 (10) ◽  
pp. 1289-1295 ◽  
Author(s):  
Tan Xiao-Ming ◽  
Kuang Xiao-Yu ◽  
Zhou Kang-Wei ◽  
Liu Zi-Jiang ◽  
Qu Yu-Qiang
Keyword(s):  
Fine Structure ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Spin Singlet

Effects of Concentration, Temperature and Hydrostatic Pressure on the Local Lattice Structure of Ni2+ Doped Zn(BF4)2 · 6H2O Crystal

2009 ◽  
Vol 64 (7-8) ◽  
pp. 511-517 ◽  
Author(s):  
Ming-Liang Gao ◽  
Xiao-Yu Kuang ◽  
Hui-Fang Li ◽  
Huai-Qian Wanga
Keyword(s):  
Hydrostatic Pressure ◽  
Lattice Structure ◽  
Theoretical Method ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Local Structures ◽  
Zero Field Splitting Parameter ◽  
Local Lattice ◽  
Splitting Parameter ◽  
The Relationship

AbstractA theoretical method for studying the inter-relationship between electronic and molecular structure is presented by means of complete energy matrices. As an application, the effects of temperature, concentration and hydrostatic pressure on the local structures of Ni2+ doped Zn(BF4)2 ・6H2O crystal have been studied. Our results show that the local lattice structures of [Ni(H2O)6]2+ coordination complex have expansion distortions as the temperature rises. Meanwhile, we find that the local structure parameter θ becomes smaller with the increasing concentration of Ni2+ ions doped in Zn(BF4)2 ・6H2O crystal. Furthermore, the pressure dependence of θ and anisotropic g-factors are discussed and the relationship between zero-field splitting parameter D and Δg is determined.

Zero-field Splitting and Local Lattice Distortions for Fe3+ Ions in Some Ib-IIIb-VI2 Semiconductors

2004 ◽  
Vol 59 (1-2) ◽  
pp. 100-102 ◽  
Author(s):  
Wen-Chen Zheng ◽  
Hui-Ning Dong ◽  
Sheng Tang ◽  
Jian Zi
Keyword(s):  
Zero Field ◽  
Superposition Model ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Local Rotation ◽  
Local Lattice ◽  
Lattice Distortions ◽  
D Values

The EPR zero-field splitting D for Fe3+ ions in some Ib-IIIb-VI2 semiconductors is calculated with the superposition model. The calculated D values, when using the local rotation angles τ (Fe3+) for Fe3+ in CuGaS2 and AgGaS2 crystals, are consistent with the observed values, whereas for Fe3+ in CuAlS2 crystal they are not. The calculated results are discussed. The local lattice distortions except the local rotation angles τ for Fe3+ in CuAlS2 are suggested.

Spin-singlet contributions to zero-field splitting of a 3d4ion at a distorted octahedral site and applications to Cr2+ions in Rb2CrCl4and CrF2

2006 ◽  
Vol 18 (5) ◽  
pp. 1705-1713 ◽  
Author(s):  
Xiao-Ming Tan ◽  
Xiao-Yu Kuang ◽  
Kang-Wei Zhou ◽  
Cheng Lu ◽  
Qin-Sheng Zhu
Keyword(s):  
Octahedral Site ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Distorted Octahedral ◽  
Spin Singlet

Correlating the axial Zero Field Splitting with the slow magnetic relaxation in GdIII SIMs

2021 ◽  
Author(s):  
Júlia Mayans ◽  
Albert Escuer
Keyword(s):  
Magnetic Relaxation ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Slow Magnetic Relaxation

A possible relation between the value of the axial Zero Field Splitting and the occurrence of field-induced slow magnetic relaxation has been established for a new gadolinium(iii) compound.

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