Charge state of a transition metal impurity in II–VI semiconductors

The results of calculating the electronic structure of semiconductor compounds A^IIB^VI: 3d(A = Zn; B = S, Se, Te; 3d = Sc-Cu) at a low content of 3d impurities are discussed. The excess charge of an impurity ion with respect to the charge of the zinc ion is determined for the whole series of 3d impurities. It is found that the excess charge gradually varies from +0.6|e| for the scandium impurity to ?0.2|e| for the copper impurity. Photoionization of an impurity ion is simulated by adding a hole or an electron to the impurity center. The added charge is redistributed between the impurity ion and its nearest neighbors, thus decreasing or increasing the total excess charge of the impurity center by a magnitude of ～ 0.2|e|.     

Manifestation of the vibronic analogue of the Fermi resonance in quasi-line spectra of porphyrins: Experiment and theoretical analysis

The quasi-line low-temperature (4.2 K) fluorescence excitation spectra of two porphyrins, meso-tetraazaporphin and meso-tetrapropylporphin introduced into an n-octane matrix are measured in the range of the S ₀ → S ₂ electronic transition. A characteristic feature of these spectra is that a conglomerate of quasi-lines—a structured complex band—is observed instead of one 0–0 quasi-line of the S ₀ → S ₂ transition. In this band, the intensity distributions for the two main types of impurity centers considerably differ from each other. The occurrence of such conglomerates is interpreted as a result of nonadiabatic electronic-vibrational interactions between vibronic S ₂ and S ₁ states (the complex vibronic analogue of the Fermi resonance). The frequencies and intensities of individual transitions determined from the deconvolution of complex conglomerates are used as the initial data for solving the inverse spectroscopic problem: the determination of the unperturbed electronic and vibrational levels of states involved in the resonance and the electronic-vibrational interaction matrix elements between them. This problem is solved with a method developed previously. The energy intervals between the S ₂ and S ₁ electronic levels of the two main types of impurity centers formed by molecules of a given porphyrin in the crystal matrix are found to significantly differ from each other (～100 cm^?1). At the same time, the energies of the unperturbed vibrational states of the S ₁ electronic level partcipating in the resonance are very close to each other for these two types of impurity centers.     

Radiative Lifetimes of the Energy Levels of Palladium-like Ions Pr XIV and Nd XV

Radiative lifetimes for the 4d⁹4f, 4d⁹5p, 4d⁹5d, and 4d⁹6s levels in the spectra of palladium-like ions Pr XIV and Nd XV are calculated in the electric-dipole approximation by the intermediate coupling semiempirical method with the use of experimental energy levels available in the literature. The radial integrals of transitions necessary for calculating absolute values of transition probabilities are obtained in the length form with Hartree–Fock functions.     

Reconstruction of the 2D hole gas spectrum for selectively doped <Emphasis Type="Italic">p</Emphasis>-Ge/Ge<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>S<Subscript>ix</Subscript> heterostructures

The magnetic field (0≤B≤32 T) and temperature (0.1≤T≤15 K) dependences of longitudinal and Hall resistivities have been investigated for p-Ge_0.93Si_0.07/Ge multilayers with different Ge layer widths 12≤d _w ≤20 nm and hole densities p _s =(1–5)×10¹⁵ m^?2. An extremely high sensitivity of the experimental data (the structure of magnetoresistance traces, relative values of the inter-Landau-level gaps deduced from the activation magnetotransport, etc.) to the quantum well profile is revealed in the cases where the Fermi level reaches the second confinement subband. An unusually high density of localized states between the Landau levels is deduced from the data. Two models for the long-range random impurity potential (the model with randomly distributed charged centers located outside the conducting layer and the model of the system with a spacer) are used to evaluate the impurity potential fluctuation characteristics: the random potential amplitude, the nonlinear screening length in the vicinity of integer filling factors v=1 and v=2, and the background density of states (DOS). The described models are suitable for explanation of the observed DOS values, while the short-range impurity potential models fail. For half-integer filling factors, a linear temperature dependence of the effective quantum Hall effect plateau-plateau (PP) transition widths v₀(T) is observed, contrary to the expected scaling behavior of the systems with short-range disorder. The finite T→0 width of the PP transitions may be due to an effective low-temperature screening of a smooth random potential due to the Coulomb repulsion of electrons.     

Analysis of the spectrum of the Zn-like Kr VII ion: Highly excited 4<Emphasis Type="Italic">p</Emphasis>4<Emphasis Type="Italic">d</Emphasis> and 4<Emphasis Type="Italic">p</Emphasis>5<Emphasis Type="Italic">s</Emphasis> configurations

The spectrum of the Zn-like Kr VII ion, excited in a capillary discharge and recorded with a high resolution in the wavelength range of 300–1000 Å, was studied. Previously performed identification of the transitions from the levels of the 4s4f, 4s5s, 4s5p, and 4s5d configurations is confirmed and extended, and the energies of these levels are specified. The (4p ²+4s4d)?4p4d and (4p ²+4s5s)?4p5s transitions are identified for the first time, and the energies of all the levels of the 4p4d and 4p5s configurations are determined. The results of the analysis performed are confirmed by semiempirical calculations in terms of the Hartree-Fock method. These results are also shown to conform to the experimental data obtained for lighter ions of the Zn I isoelectronic sequence.     

Radiative transition probabilities in ions of the silver isoelectronic sequence

The wave functions of one-electron states above the 4d ¹⁰ core have been calculated within the relativistic perturbation theory with a zero-order model potential. The wavelengths and probabilities of electric dipole transitions in an Ag-like ion have been calculated for the 5s-5p, 5p-5d, 5d-5f, and 4f-5d transitions. The data obtained are compared with the results of calculations by the relativistic Hartree-Fock method and within the relativistic many-body perturbation theory. The theoretical results are compared with experimental data on the lifetimes of energy levels in Ag-like ions.     

The probabilities of radiative transitions and lifetimes of levels in the spectra of Cu XX,La IV

The probabilities of radiative electric dipole transitions 2p ⁵3p, 2p ⁶–2p ⁵3s, and 2p ⁵3d in the spectrum of neon-like copper Cu XX and 5p ⁵6p, 5p ⁶–5p ⁵6s, 5p ⁵7s, and 5p ⁵5d in the spectrum of xenon-like lanthanum La IV are calculated. The wave functions of the intermediate coupling were found from the wellknown experimental energy levels by the least-squares method (LSM). To transfer to an absolute scale the radial integrals for the transitions calculated in the form of a length on the Hartree–Fock functions have been used. By summing the calculated probabilities of the transitions, the lifetimes of the levels of configurations 2p ⁵3s, 2p ⁵3p, and 2p ⁵3d in the spectrum of Cu XX and levels of configurations 5p ⁵6s, 5p ⁵6p, and 5p ⁵7s in the spectrum of La IV have been obtained.     

Trigonal Distortions of the Cr<Superscript>3+</Superscript> Octahedral Centers in Cr<Superscript>3+</Superscript>-Doped ABO<Subscript>3</Subscript> (A = Sc,In, Lu) Crystals Obtained by Analyzing EPR Data

The spin-Hamiltonian parameters (g factors g_//, g_⊥ and zero-field splitting D) of the trigonal Cr³⁺ centers in Cr³⁺-doped ABO₃ (A = Sc, In, Lu) borate crystals are computed from both the complete diagonalization (of energy matrix) method and also the perturbation method based on the two-spin–orbit-parameter model, where the contributions to spin-Hamiltonian parameters due to both the spin–orbit parameter of central d ⁿ ion and that of ligands via covalence effect are considered. The calculated results are compatible with those available in experiments. The defect structures of the trigonal (CrO₆)^9? octahedral centers are also evaluated from the calculations. It is found that the trigonal (MO₆)^9? octahedra change from the elongation in the host crystals to the compression in the impurity centers because of the large size and nature mismatch substitution in these Cr³⁺-doped ABO₃ crystals. The results are discussed.     

Features of the Emission Spectra of Ni-Like Ions. Application to Calculating the Wavelengths of Self-Photo-Pumped X-Ray Lasers

The energy levels and probabilities of radiative transitions to the ground state of Ni-like ions with Z = 36–51 are calculated. The energies of the upper working level 3d_3/24f_5/2 [J = 1] and the lower working level 3d_3/24d_3/2 [J = 1] of self-photo-pumped X-ray lasers along the sequence of Ni-like ions are studied. It is shown that, at the points of intersection of levels of the same parity, a strong interaction of these levels takes place, which leads to a redistribution of the oscillator strengths of the radiative transitions from these levels. Near the intersection points, the emission spectra change abruptly with variation in the nuclear charge Z.     

Low-temperature contribution to the resonant tunneling conductance of a disordered N–I–N junction

A formula for the contribution ΔG ^res(T) to the resonant tunneling conductance of the N–I–N junction (where N is a normal metal and I is an insulator) with a weak (low impurity concentrations) structural disorder in the I layer from the low-temperature “smearing” electron Fermi surfaces in its N shores is obtained. It is shown that the temperature dependence ΔG ^res(T) in such a “dirty” junction qualitatively differs from the corresponding dependence ΔG ₀(T) in a “pure” (without resonant impurities in the I layer) junction: ΔG ^res(T) < 0, d(ΔG ^res)/dT < 0; ΔG ₀(T) > 0, d(ΔG ₀)/dT > 0, which can serve as an experimental test of the presence of impurity tunneling resonances in the disordered I layer.     

Configuration interaction and radiative constants in spectra of argon-like Sc IV-Fe IX ions

The probabilities of the 3p ⁵3d, 3p ⁵4s?3p ⁶, 3p ⁵4p, 3s3p ⁶3d electric dipole transitions and radiative lifetimes of the 3p ⁵3d, 3p ⁵4p, 3p ⁵4s, and 3s3p ⁶3d levels are calculated for the Sc IV–Fe IX isoelectronic sequence.     

Lattice instability induced by 3<Emphasis Type="Italic">d</Emphasis> impurities in II–VI compound semiconductors

Nickel-impurity-induced transverse displacements of ions in a Zn_1?xNi_xSe lattice (x = 0.0025) were detected. This type of displacement correlates with macroscopic distortions of a crystal associated with transverse ultrasonic waves that are propagated along the 〈110〉 direction. The shear instability is assumed to be due to the hybridization of the sp³ bonds with the 3d states of the impurity centers.     

Highly excited and autoionizing states in the spectrum of triply ionized titanium Ti(IV)

The spectrum of Ti(IV) excited in a vacuum spark was investigated in the range 250–900 Å with high resolution. Eighty-four lines were measured and identified as transitions from the 3p⁶ns, 3p⁶np, and 3p⁶nf configurations, where n ≤ 8, ≤ 10, and ≤ 8, respectively, and from the 3p⁵3d² and 3p⁵3d⁴s configurations. The lines due to the transitions from the autoionizing levels of the 3p⁵3d² and 3p⁵3d⁴s configurations were also observed and their widths were measured. The experimental data were compared with the results obtained by calculations using the Hartree-Fock method and semiempirical calculations.     

Intersubband cyclotron resonance of holes in strained Ge/GeSi(111) heterostructures with germanium wide quantum wells and cyclotron resonance of 1<Emphasis Type="Italic">L</Emphasis> electrons in GeSi layers

The submillimeter (?ω=0.5–5 meV) magnetoabsorption spectra of strained Ge/Ge_1?xSi_x(111) multilayer heterostructures with thick Ge layers (d_Ge=300–850 Å, d_GeSi≈200 Å, x≈0.1) are investigated at T=4.2 K upon band-gap optical excitation. It is revealed that the absorption spectra contain cyclotron resonance lines of 1L electrons localized in GeSi solid solution layers (unlike the previously studied structures with thin Ge layers as quantum wells for 3L electrons). The absorption spectra of the samples with thick Ge layers (d_Ge=800–850 Å) exhibit cyclotron resonance lines of holes due to transitions from the lower Landau levels in the first quantum-well subband to the Landau levels belonging to the third and fifth higher subbands.     

4<Emphasis Type="Italic">p</Emphasis><Superscript>5</Superscript>4<Emphasis Type="Italic">d</Emphasis><Superscript>2</Superscript> configuration in the spectra of rubidium-like Ru VIII and Rh IX ions

The spectra of ruthenium and rhodium excited in a low-inductive vacuum spark have been obtained using a vacuum grazing-incidence spectrograph with a grating of 3600 lines/mm 3 m in radius in the range of 180–350 Å. The bidium-like spectra of Ru VIII and Rh IX were analyzed. Ten spectral lines of the 4p ⁶4d-4p ⁵4d ² transitions are identified and six energy levels in the 4p ⁵4d ² configuration with an excited internal electron were found for each ion for the first time.     

High-frequency nonlinear response of thin superconducting films with a mixed <Emphasis Type="Italic">d</Emphasis> and <Emphasis Type="Italic">s</Emphasis> symmetry of the order parameter

Third-harmonic generation during reflection of electromagnetic radiation from a thin superconducting film with a mixed d-and s-order parameter is studied theoretically. The dependence of the third harmonic intensity on the temperature and amplitude of an incident wave is calculated in the framework of the Ginzburg-Landau theory for superconductors with a two-component order parameter, and its behavior in the vicinity of transitions between phases with different symmetries is analyzed. It is shown, in particular, that the third harmonic intensity in the vicinity of the temperature corresponding to the d ? d + s phase transition substantially increases and is a nonanalytic function of the amplitude of the incident wave, while no singularity in the nonlinear response is observed for the d ? d + is transition. The linear reflection coefficient is found to be virtually insensitive to these phase transitions.     

The effects of cup-like and hill-like parabolic confining potentials on photoionization cross section of a donor in a spherical quantum dot

A theoretical investigation of the effects of hill-like and cup-like parabolic confiningelectric potentials on photoionization cross section (PCS) in a spherical quantum dot ispresented. The hill-like and the cup-like parabolic potentials are superimposed on aninfinite spherical square well (ISSW) potential. As the cup-like parabolic potentialintensifies, the peak of the PCS becomes redshifted for the s → ptransition, and becomes blueshifted for the p → d, d → f (andso forth) transitions. The hill-like parabolic potential, on the contrary, blueshiftspeaks of the PCS for s →p transitions, while it redshifts those oftransitions between higher states as it intensifies. Consequently, the two potentialsdiscriminate between transitions involving the ground state and those involving higherstates.     

Mixed Spin-1/2 and Spin-5/2 Model by Renormalization Group Theory: Recursion Equations and Thermodynamic Study

Using the renormalization group approximation, specifically the Migdal-Kadanoff technique, we investigate the Blume-Capel model with mixed spins S = 1/2 and S = 5/2 on d-dimensional hypercubic lattice. The flow in the parameter space of the Hamiltonian and the thermodynamic functions are determined. The phase diagram of this model is plotted in the (anisotropy, temperature) plane for both cases d = 2 and d = 3 in which the system exhibits the first and second order phase transitions and critical end-points. The associated fixed points are drawn up in a table, and by linearizing the transformation at the vicinity of these points, we determine the critical exponents for d = 2 and d = 3. We have also presented a variation of the free energy derivative at the vicinity of the first and second order transitions. Finally, this work is completed by a discussion and comparison with other approximation.     

Two-step photoconductivity in LiY<Subscript> <Emphasis Type="Italic">x</Emphasis> </Subscript>Lu<Subscript>1 – <Emphasis Type="Italic">x</Emphasis> </Subscript>F<Subscript>4</Subscript>:Ce,Yb crystals

Photoconductivity of LiY_xLu_1–xF₄:Ce,Yb (x = 0–1) crystals is measured under one- and two-step excitation. It is established that the photoconductivity is due to intra-center transitions from excited states of Ce³⁺ ions. The position of the ground 4 f-state of Ce³⁺ ion relative to the bottom of the conduction band is determined. The choice of pumping conditions to obtain the lasing on the 5d–4f transitions of trivalent cerium in these active media is substantiated.     

Dimension of an optimum impurity cluster and multiple-occupancy corrections in the theory of scattering of vibrational excitations in a solid solution

A relationship is derived for the correlation length L determining the size of the region in a solid solution in which excitations are scattered coherently. The correlation length depends on the fraction of impurity atoms x in the solid solution and the lattice dimension d. In the physical analysis of single-particle scattering processes in the solid solution and calculations, it is sufficient to take into account clusters with the number of cells n corresponding to the correlation volume L ^d . A theoretical analysis is illustrated by calculations of the spectral functions of the solid solution at different values of x and n. The multiple-occupancy corrections (polynomials in powers of x) to scattering diagrams are calculated using the method of sequential breaking apart of the interaction lines in the diagrams for the self-energy part. The method used was previously applied to the case of scattering by a single impurity. In this paper, the efficiency of the method is checked for scattering by multi-impurity clusters. It is demonstrated that the method can be useful in analyzing and estimating the contributions of scattering diagrams.