Interaction of nickel donor and acceptor excitons with defect vibrations in ZnSe:Ni crystals

Defect vibrations in ZnSe:Ni crystals induced by the Ni impurity with charge of ±1 relative to the neutral state are calculated by a recursive method in the shell model. This leads to an interpretation of vibronic structures in electroabsorption spectra for donor and acceptor Ni excitons in ZnSe:Ni crystals. Fiz. Tverd. Tela (St. Petersburg) 39, 2147–2151 (December 1997)     

Local vibrational mode in zinc telluride associated with a charged nickel impurity

Physics of the Solid State - Field exciton-vibration spectroscopy of the ZnTe: Ni semiconductor has revealed a local lattice vibrational mode due to the nickel impurity, which is negatively charged...     

Electronic absorption spectrum of Ni2+ in lithium potassium sulphate single crystal

Single crystals of nickel-doped lithium potassium sulphate were grown by slow evaporation method at room temperature. From the nature and position of the bands observed, a successful interpretation of all the bands could be made assumingO _h symmetry for the Ni²⁺ ion in the crystal. The bands have been assigned transitions from the ground³A_2g(F) state to the excited³T_2g(F),¹E_g(D),³T_1g(F),¹T_2g(D) and³T_1g(P) states. The crystal field parameters derived areDq=910cm^–1,B=890cm^–1 andC=3560cm^–1.The authors wish to express their thanks to Prof. K. Sreerama Murthy for his constant encouragement throughout this investigation. The authors are also thankful to Prof. Mihir Chowdhury, Indian Association for the cultivation of Science, Calcutta for giving permission to take the spectra.     

Optical absorption spectrum of Ni2+ ions doped in sodium potassium sulphate single crystal

Single crystals of nickel-doped sodium potassium sulphate were grown by slow evaporation method at room temperature. From the nature and position of the bands observed, a successful interpretation of all the observed bands could be made assuming the octahedral symmetry for the Ni^{2 +} ion in the crystal. The bands have been ascribed to transitions from the ground³A_2g(F) state to the excited³T_2g(F),¹E_g(D),³T_1g(F),¹T_2g(D) and³T_1g(P) states. The experimental and calculated energies are in good agreement. The crystal field parameters derived areDq= =880 cm^–1,B= 900cm^–1 andC=3600 cm^–1.One of the authors, Sujatha John expresses her thanks to the Secretary and the Principal, R. B. V. R. Reddy College, Hyderabad for according her permission to pursue the M. Phil. course.     

Paradoxes of the influence of small Ni impurity additions in a NaCl crystal on the kinetics of its magnetoplasticity

A comparative study of magnetoplasticity in two types of NaCl crystals differing in impurity content only by a small Ni addition (0.06 ppm) in one of them, NaCl(Ni), has been carried out. Two methods of sample magnetic exposure were used: in a constant field B = 0–0.6 T and in crossed fields in the EPR scheme—the Earth’s field B_Earth (50 μT) and a variable pumping field \(\tilde B( \sim 1 \mu T)\) at frequencies ν ~ 1 MHz. In the experiments in the EPR scheme, the change of the field orientation from \(\tilde B \bot B_{Earth}\) to \(\left. {\tilde B} \right\|B_{Earth}\) led to almost complete suppression of the effect in the NaCl(Ni) crystals and reduced only slightly (approximately by 20%) the height of the resonance peak of dislocation mean paths in the crystals without Ni, with the amplitude of the mean paths in NaCl(Ni) in the orientation \(\tilde B \bot B_{Earth}\) having been appreciably lower than that in NaCl. In contrast, upon exposure to a constant magnetic field, a more intense effect was observed in the crystal with Ni. The threshold pumping field amplitude \(\tilde B\), below which the effect is absent under resonance conditions, for the NaCl(Ni) crystals turned out to be a factor of 5 smaller than that for NaCl, while the thresholds of a constant magnetic field coincide for both types of crystals. All these differences are discussed in detail and interpreted.     

Reduction of the excess of natural coordinates in the calculation of crystal lattice vibrations

The simplification of the procedure of setting up the equations of crystal lattice vibrations in terms of dependent natural vibration coordinates by choosing a rational coordinate system and introducing symmetrical linear combinations of coordinates, thus reducing the excess of coordinates, is considered. Vibrations in a plane square lattice are used to illustrate the method.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 63–67, September, 1984.     

Phonon spectrum of a naphthalene crystal at a high pressure: Influence of shortened distances on the lattice and intramolecular vibrations

The Raman spectra of a naphthalene crystal have been measured at room temperature in the pressure range up to 20 GPa. The pressure shift and Grüneisen parameters for intermolecular and intramolecular phonons have been determined. The maximum rate of the pressure shift for intermolecular phonons is 44 cm^?1/GPa, and the rate of the pressure shift for intramolecular phonons lies in the range from 1 to 11 cm^?1/GPa for different modes. The pressure dependence of the phonon frequencies for direct and inverse pressure variations has a hysteresis in the pressure range from 2.5 to 16.5 GPa. It has been shown that the linear dependence of the intermolecular phonon frequency on the crystal density has a peculiarity, which indicates a possible phase transition at a pressure of 3.5 GPa. The pressure dependence of intramolecular phonons related to the stretching vibrations of hydrogen atoms exhibits features that are characteristic of intermolecular phonons, which is associated with the influence of shortened distances between the hydrogen atoms of the neighboring molecules on the intermolecular interaction potential.     

ZnO晶体中Mn2+与Fe3+杂质中心的缺陷结构研究

用建立在强场图像和自旋轨道耦合机理的高阶微扰公式研究了ZnO晶体中Mn2+和Fe3+杂质中心的零场分裂.研究发现:Mn2+和Fe3+离子不能占据准确的Zn2+位置,而是沿c3轴方向各自位移一段距离ΔR.这些位移及与此相关的缺陷结构也为Newman叠加模型所证实 关键词： 零场分裂 ZnO晶体 晶格畸变 叠加模型     

Influence of phonon dispersion and exciton spectrum on the energy spectrum of magnetopolarons in a quantum well

An analysis is made of the influence of the spatial dispersion of LO phonons and the exciton effect on the energy spectrum of magnetopolarons in a quantum well. It is shown that in optical experiments where light is incident normally on the plane of the quantum well, a discrete spectrum of magnetopolarons is observed. Both the phonon dispersion and the Coulomb attraction of an electron and a hole may lead to a shift of the discrete magnetopolaron energy levels and additional contributions to the broadening of various levels.     

Magnetooptical absorption of a molecular crystal in the exciton frequency range

Nonlinear absorption of a molecular crystal in an external magnetic field is considered. The exciton absorption shape functions under polarized laser radiation and a weak magnetic field, as well as the mechanisms responsible for the formation of a hysteresis loop in the dependence of the output light intensity on the applied magnetic field, were studied for the particular case of benzene. It was established that, for the magnetooptical response of the molecular crystal under study, the formation of bistable loops is inverse in character, which makes it possible to monitor and control the behavior of bistable elements in optical logics systems with an external magnetic field at a fixed illumination frequency.     

An investigation on the variations in properties of Ni+ irradiated ZnO thin films

ZnO thin films, irradiated by 80 MeV Ni⁺ ions, were analysed with the help of different characterization techniques like X-ray diffraction, optical absorption, transmission, photoluminescence (PL), electrical resistivity, photosensitivity (PS) and thermally stimulated current (TSC) measurements. Crystallinity and absorption edge were hardly affected by irradiation. PL spectrum of pristine sample showed a broad peak at 517 nm, whereas irradiated film had two emissions at 517 and 590 nm. Intensity ratio between these two emissions (I₅₁₇/I₅₉₀) decreased with the fluence, and finally at a fluence of 3×10¹³ ions/cm², the emission at 517 nm completely disappeared. Electrical resistivity of the sample irradiated with a fluence of 1×10¹³ ions/cm² drastically increased. However, on increasing the fluence to 3×10¹³ ions/cm², resistivity decreased, probably due the onset of hopping conduction through defects. PS also decreased due to irradiation. TSC measurements on pristine sample could reveal only one defect level at 0.6 eV, due to interstitia1 zinc (Zn_I). But, irradiation at a fluence of 1×10¹² ions/cm², resulted in three different defect levels as per TSC studies. Interestingly, the sample irradiated at a fluence of 3×10¹³ ions/cm² had only one defect level corresponding to a deep donor. The possible origin of these defect levels is also discussed in the paper.     

Ni+与CH3CH2CH2NH2反应机理的理论研究

用密度泛函方法在UB3LYP/6-311G++(d,p)理论水平上研究了Ni+在基态与CH3CH2CH2NH2的反应机理,全参数优化了[Ni,C3,N,H9]+基态势能面上各驻点的几何构型,并用频率分析方法和内禀反应坐标（IRC）方法对过渡态进行了验证。结果表明第一过渡金属离子Ni+与CH3CH2CH2NH2的反应为插入-消去机理,并计算找到了基态下该反应的最有利通道。     

Spatial distribution of a hole localized on acceptor in deformed crystal

The influence of the host-crystal deformation on the acceptor wave-function in a cubic crystal is considered. The calculations are based on the numerical solution of the Luttinger Hamiltonian for a hole in a complex valence band. The deformation is taken into account using Bir-Pikus Hamiltonian for the deformation. The results can be used for the interpretation of the STM images in strained cubic crystals.