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1.
杨子元 《中国物理 B》2011,20(9):97601-097601
The quantitative relationship between the spin Hamiltonian parameters (D, g, Δg) and the crystal structure parameters for the Cr3+—VZn tetragonal defect centre in a Cr3+:KZnF3 crystal is established by using the superposition model. On the above basis, the local structure distortion and the spin Hamiltonian parameter for the Cr3+—VZn tetragonal defect centre in the KZnF_3 crystal are systematically investigated using the complete diagonalization method. It is found that the VZn vacancy and the differences in mass, radius and charge between the Cr3+ and the Zn2+ ions induce the local lattice distortion of the Cr3+ centre ions in the KZnF3 crystal. The local lattice distortion is shown to give rise to the tetragonal crystal field, which in turn results in the tetragonal zero-field splitting parameter D and the anisotropic g factor Δg. We find that the ligand F- ion along [001] and the other five F- ions move towards the central Cr3+ by distances of Δ1 = 0.0121 nm and Δ2 = 0.0026 nm, respectively. Our approach takes into account the spin—orbit interaction as well as the spin—spin, spin—other-orbit, and orbit—orbit interactions omitted in the previous studies. It is found that for the Cr3+ ions in the Cr3+:KZnF3 crystal, although the spin—orbit mechanism is the most important one, the contribution to the spin Hamiltonian parameters from the other three mechanisms, including spin—spin, spin—other-orbit, and orbit—orbit magnetic interactions, is appreciable and should not be omitted, especially for the zero-field splitting (ZFS) parameter D.  相似文献   

2.
This paper systematically investigates the local distortion and electron paramagnetic resonance (EPR) parameter for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems on the basis of the complete energy matrix, in which not only the contributions due to the spin–orbit coupling of the central ions but also that of the ligands are considered. To describe the difference of overlapping between d-orbits and p orbit, two spin–orbit coupling coefficients are introduced. By simulating the crystal field parameter and EPR parameter, the local distortion parameters are studied and the relationships between the EPR parameter and the spin–orbit coupling coefficients as well as divergent parameter are discussed. These results show that the local structures exhibit compression distortion for CdCl 2 :V 2+ and elongation distortions for CsMgX 3 :V 2+ (X=Cl, Br), respectively. It notes that the empirical formula R ≈ R H + (r i-r h )/2 is not suitable for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems. The contributions of ligand to spin–orbit coupling interaction cannot be neglected for strong covalent systems, especially for V 2+ doped in CsMgBr 3 :V 2+ .  相似文献   

3.
AlxGa1-xN/GaN heterostructures are grown on c-sapphire with the Al composition x from 0.2 to 0.4 and thicknesses from 20nm to 30nm. The lattice parameters a and c are determined from 2θ/ω scan. The AIGaN layers are found to be under tensile strain by using x-ray diffraction. Vegard's law induces a large deviation in Al composition determination by only considering the linear relationship between one lattice parameter (α or c) and Al composition. The accurate determination of Al composition is only possible with consideration of both the lattice parameters α and c, by assuming the tetragonal distortion in the AlGaN layer. Additionally, the results obtained from x-ray diffraction are verified by Rutherford backscattering.  相似文献   

4.
This paper systematically investigates the local distortion and electron paramagnetic resonance (EPR) parameter for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems on the basis of the complete energy matrix, in which not only the contributions due to the spin–orbit coupling of the central ions but also that of the ligands are considered. To describe the difference of overlapping between d-orbits and p orbit, two spin–orbit coupling coefficients are introduced. By simulating the crystal field parameter and EPR parameter, the local distortion parameters are studied and the relationships between the EPR parameter and the spin–orbit coupling coefficients as well as divergent parameter are discussed. These results show that the local structures exhibit compression distortion for CdCl 2 :V 2+ and elongation distortions for CsMgX 3 :V 2+ (X=Cl, Br), respectively. It notes that the empirical formula R ≈ R H + (r i-r h )/2 is not suitable for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems. The contributions of ligand to spin–orbit coupling interaction cannot be neglected for strong covalent systems, especially for V 2+ doped in CsMgBr 3 :V 2+ .  相似文献   

5.
The structural, electronic, and optical properties of binary ZnO, ZnSe compounds, and their ternary ZnOl_xSex alloys are computed using the accurate full potential linearized augmented plane wave plus local orbital (FP-LAPW + lo) method in the rocksalt (B 1) and zincblende (B3) crystallographic phases. The electronic band structures, fundamental energy band gaps, and densities of states for ZnO1_xSex are evaluated in the range 0 〈 x 〈 1 using Wu-Cohen (WC) generalized gradient approximation (GGA) for the exchange-correlation potential. Our calculated results of lattice parameters and bulk modulus reveal a nonlinear variation for pseudo-binary and their ternary alloys in both phases and show a considerable deviation from Vegard's law. It is observed that the predicted lattice parameter and bulk modulus are in good agreement with the available experimental and theoretical data. We establish that the composition dependence of band gap is semi-metallic in B1 phase, while a direct band gap is observed in B3 phase. The calculated density of states is described by taking into account the contribution of Zn 3d, O 2p, and Se 4s, and the optical properties are studied in terms of dielectric functions, refractive index, reflectivity, and energy loss function for the B3 phase and are compared with the available experimental data.  相似文献   

6.
杨子元 《中国物理 B》2009,18(3):1253-1260
The local structure distortion,the spin Hamiltonian(SH) parameters,and the electric fine structure of the ground state for Mn2+(3d5) ion in ZnO crystals are systematically investigated,where spin-spin(SS),spin-other-orbit(SOO) and orbit-orbit(OO) magnetic interactions,besides the well-known spin-orbit(SO) coupling,are taken into account for the first time,by using the complete diagonalization method.The theoretical results of the second-order zero-field splitting(ZFS) parameter D,the fourth-order ZFS parameter(a-F),the Zeeman g-factors:g// and g⊥,and the energy differences of the ground state:δ1 and δ2 for Mn2+ in Mn2+:ZnO are in good agreement with experimental measurements when the three O2-ions below the Mn2+ ion rotate by 1.085° away from the [111]-axis.Hence,the local structure distortion effect plays an important role in explaining the spectroscopic properties of Mn2+ ions in Mn2+:ZnO crystals.It is found for Mn2+ ions in Mn2+:ZnO crystals that although the SO mechanism is the most important one,the contributions to the SH parameters,made by other four mechanisms,i.e.SS,SOO,OO,and SO-SS-SOO-OO mechanisms,are significant and should not be omitted,especially for calculating ZFS parameter D.  相似文献   

7.
张磊  邓宁  任敏  董浩  陈培毅 《中国物理》2007,16(5):1440-1444
Effective spin-polarized injection from magnetic semiconductor (MS) to nonmagnetic semiconductor (NMS) has been highlighted in recent years. In this paper we study theoretically the dependence of nonequilibrium spin polarization (NESP) in NMS during spin-polarized injection through the magnetic p-n junction. Based on the theory in semiconductor physics, a model is established and the boundary conditions are determined in the case of no external spin-polarized injection and low bias. The control parameters that may influence the NESP in NMS are indicated by calculating the distribution of spin polarization. They are the doping concentrations, the equilibrium spin polarization in MS and the bias. The effective spin-polarized injection can be realized more easily by optimizing the above parameters.  相似文献   

8.
Rutherford backscattering (RBS)/channelling and high resolution x-ray diffraction (HRXRD) have been used to characterize the tetragonal distortion of a GaN epilayer with four Alx Ga1-xN and single AIN buffer layers grown on a Si (111) substrate by metal-organic vapour phase epitaxy (MOVPE). The results show that a 1000nm GaN epilayer with a perfect crystal quality (Xmin = 1.54%) can be grown on the Si (111) substrate in virtue of multiple buffer layers. Using the RBS/channelling angular scan around an off-normal (1213) axis in the (1010) plane and the conventional HRXRD θ - 20 scans normal to GaN (0002) and (1122) planes at the 0° and 180° azimuth angles, the tetragonal distortion eT, which is caused by the elastic strain in the epilayer and different buffer layers, can be obtained respectively. The two experiments are testified at one result, the tetragonal distortion of GaN epilayer is nearly to a fully relaxed (eT = 0).  相似文献   

9.
Hybrid density functional theory (DFT) calculations are performed to study MC2 (M= V, Cr, Fe and Co) clusters in the neutral and anionic charge states. We find that the equilibrium geometries of MC2 and their anions are all cyclic structures with C2v symmetry, which agrees well with the previous theoretical studies. The Mulliken charge and spin populations of MC2 clusters and their anions are also calculated, and it is found that the electron charge transformations from anions to neutral molecules mainly take place on the M atoms. Time-dependent DFT is used to calculate the excited states, and a theoretical assignment for the features in the experimental photoelectron spectrum is given, which are in good agreement with the available experimental data.  相似文献   

10.
In this paper the dependence of structural properties of the quaternary CuIn1-xGaxSe2 films with tetragonal structure on the Ga content has been systematically investigated by Raman scattering and x-ray diffraction spectra. The shift of the dominant A1 mode, unlike the lattice constants, does not follow the linear Vegard law with increasing Ga content x, whereas exhibits approximately polynomial change from 174 cm^-1 for CuInSe2 to 185 cm^-1 for CuGaSe2. Such behaviour should be indicative of presence of the asymmetric distribution of Ga and In on a microscopic scale in the films, due to Ga addition. The changes in the tetragonal distortion η lead to a significant variation in the anion displacement parameter U, which should be responsible for the evolution of bond parameters and resultant Raman bands with x.  相似文献   

11.
Demirbas U  Sennaroglu A 《Optics letters》2006,31(15):2293-2295
We obtained, what is to our knowledge, record tuning from an intracavity-pumped gain-switched Cr2+:ZnSe laser. In the experiments, a polycrystalline Cr2+:ZnSe sample with an absorption of about 43% at 1570 nm was used to minimize reabsorption losses at the lasing wavelengths below 2000 nm. By placing the gain medium inside the cavity of a pulsed KTP optical parametric oscillator (OPO) operating at 1570 nm, smooth, continuous tuning was achieved in the 1880-3100 nm range with four different sets of cavity optics. As high as 145 mW of average laser output power was obtained at 2365 nm with 1.2 W of intracavity OPO power.  相似文献   

12.
YU  Fa-Jun LI  Li 《理论物理通讯》2010,(5):793-798
In this paper, we extend a (2+2)-dimensional continuous zero curvature equation to (2+2)-dimensional discrete zero curvature equation, then a new (2+2)-dimensional cubic Volterra lattice hierarchy is obtained. Fhrthermore, the integrable coupling systems of the (2+2)-dimensional cubic Volterra lattice hierarchy and the generalized Toda lattice soliton equations are presented by using a Lie algebraic system sl(4).  相似文献   

13.
杨子元 《波谱学杂志》2000,17(2):153-159
按照叠加模型与EPR零场分裂参量的三阶微扰理论,建立了KCdF3:Cr3+晶体EPR零场分裂参量与四角对称Cr3+-Cd2+缺陷中心局域结构之间的定量关系.证实Cd2+空位与晶格畸变的存在,我们获得:围绕Cr3+离子的六个F-配体分别向中心Cr3+移动Δ1=0.00294nm,Δ2=0.0010nm,Δ3=0.0028nm (参见图2).EPR零场分裂参量与实验一致表明:Cd2+空位与晶格畸变的假设是合理的.尽管四角晶场主要来自Cd2+空位,但晶格畸变的贡献不可忽略.  相似文献   

14.
YAG∶Cr3+ 晶体精细光谱结构研究   总被引:6,自引:3,他引:3  
魏群  杨子元 《光子学报》2006,35(5):688-692
采用不同的晶体畸变模型,利用CDM(complete diagonalization method)方法对YAG∶Cr3+ 晶体的EPR参量进行了系统研究.通过计算结果对晶格畸变模型进行了分析.结果表明,在三角对称下,对杂质离子电荷与中心离子电荷相等的情况,不适合用杂质离子沿C3轴位移的模型来研究晶体的局域结构,而且由于基态和第一激发态的零场分裂都对局域结构微变非常敏感,因此仅由基态零场分裂来确定晶格局域结构是不可靠的.同时结果表明,Cr3+ 离子进入YAG晶体后,产生了Δθ=1.88°的三角畸变.从而成功统一地解释了YAG∶Cr3+ 晶体的EPR参量和精细光谱结构.  相似文献   

15.
We report on a nonlinear mirror (NLM) scheme that enables, for the first time to the best of our best knowledge, tunable mode locking of a Cr2+:ZnSe laser in the picosecond regime. The NLM-used as the output coupler of the laser cavity-consists of a periodically poled lithium niobate (PPLN) crystal with a fan-out grating coupled with a dichroic mirror and a wedged dispersive YAG plate. The Cr2+:ZnSe laser, pumped by a CW thulium-doped fiber laser, delivers 85?ps pulses at a repetition rate of 220?MHz with a 300?mW average power. Thanks to the use of a fan-out PPLN crystal, we benefit from the wide tunability of the Cr2+:ZnSe laser and achieve mode locking over the whole 2.44-2.55?μm range while maintaining a narrow-linewidth emission suitable for time-resolved nonlinear spectroscopy applications.  相似文献   

16.
An Yba+/Al3+-codoped microstructured optical fibre is prepared based on photonic crystal fibre technology. The characteristic spectra of preforms and fibres are experimentally investigated. The results show that under a 971 nm excitation, besides the known infrared fluorescence luminescence around 1050 nm, a blue luminescence peak at 486 nm is obtained. Moreover, an unexpected emission peak at 730 nm is also observed. The photoluminescence mechanism of an Yba+/Al3+-codoped microstructured optical fibre is discussed. The emission peak at 486 nm is attributed to the cooperative upconversion resulting from pairs of Yb3+ ions, and the emission peak around 730 nm is ascribed to the stimulated Raman scattering because of nonlinear effects of microstructured optical fibre. The Yba+/Al3+-codoped microstructured optical fibre is promising for varieties of applications from laser printing and optical recording to cancer treatments, such as photodynamic therapy.  相似文献   

17.
The vector correlations between products and reagents for the reactions Ne+H2+, Ne+D2+, and Ne+T2+ are calculated by means of the quasi-classical trajectory method on a new potential energy surface constructed by Lfi et al, [J. Chem. Phys. 2010 132, 014303]. The polarization-dependent differential cross-sections (27π/σ)(dσ00/dωt), (2π/σ)(dσ20/dwt), (27π/σ)(dσ22+/dwt), and (2π/σ)(dσ21-/dwt), and the distributions of P(θr), P(φ), and P(θr, Cr) are calculated. The isotopic effect, which is associated with the difference in mass factor among the three reactions, is revealed.  相似文献   

18.
By considering (2+1)-dimensional non-isospectral discrete zero curvature equation, the (2+1)-dimensional non-isospectral Toda lattice hierarchy is constructed in this article. It follows that some reductions of the (2+1)- dimensional Toda lattice hierarchy are given. Finally, the (2+1)-dimensional integrable coupling system of the Toda lattice hierarchy is obtained through enlarging spectral problem.  相似文献   

19.
We have measured systematically the Cr-related zero-phonon lines in the 0.839 eV region in a series of plastically-bent semi-insulating GaAs:Cr with compressive or tensile stress along various bending axes. As a result, it has been found that the residual stress in semi-insulating GaAs:Cr wafers can be sensitively characterized from a splitting and energy shift of the 0.839 eV Cr-related luminescence lines in the low-temperature photoluminescence spectra. Furthermore, we have applied this method to the characterization of the interface stress of OMVPE-grown ZnSe/GaAs:Cr heterostructure and found that anomalous stress exists at the ZnSe/GaAs interface, which is inconsistent with stress predicted by the lattice mismatch of the heterojunctions.  相似文献   

20.
Efficient continuous-wave (cw) lasing of Cr(2+):ZnS and Cr(2+):ZnSe crystals in external hemispherical cavities and in a microchip configuration under Er-fiber-laser pumping at room temperature are reported. The key result is what is believed to be the first successful demonstration of cw Cr(2+):ZnS and Cr(2+):ZnSe microchip lasers with maximum output powers of 63 and 100 mW at 2320 and 2520 nm, with slope efficiencies of 53% and 20%, respectively.  相似文献   

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