Optical absorption spectrum of Ni2+ ion doped in synthetic lecontite

The optical absorption spectrum of Ni²⁺ ion doped in lecontite (sodium ammonium sulphate dihydrate) single crystal has been studied at room and liquid air temperatures. All the bands could be assigned assumingO _h symmetry for the Ni²⁺ ion in the crystal. The splitting of³ T _1g (F) band at liquid air temperature has been attributed to spin-orbit interaction. The crystal field and spin-orbit parameters derived areD _q=1000 cm^?1;B=740 cm^?1;C/B=4.27 and ζ=600 cm^?1. All the bands observed show a blue shift when the crystal was cooled to liquid air temperature.     

Absorption spectra of Cu2+ in azurite

EPR and optical absorption studies in azurite have been carried out at room and low temperatures. The EPR spectrum reveals that the ground state for Cu²⁺ ion is ²B₁. Peak to peak linewidth of EPR spectrum is calculated (ΔH_p = 76 G) and found to be close with the observed value. The Cu²⁺ ion situated in D_4h symmetry with spin-orbit interaction exhibits bands at 11,806, 16,484, 17,952 and 19,793 cm^?1. The tetragonal field parameters are calculated to be Ds = ? 3364 cm^?1 and Dt = ? 604 cm^?1. The crystal field splitting parameter is found to be Dq = ? 1175 cm^?1.     

Absorption spectrum of Cs2Mg(SO4)2 · 6H2O:Ni2+ single crystals

The absorption spectrum of Ni²⁺ doped in Cs₂Mg(SO₄)₂ · 6H₂O single crystals has been studied at room and liquid nitrogen temperatures in the range 7000–34000 cm^?1. The observed spectrum is satisfactorily interpreted in terms of cubic ligand field model including spin-orbit coulping. The ligand field parameters evaluated to best fit the observed spectrum are B = 955 cm^?1, C = 3572 cm^?1, Dq = 910 cm^?1 and ξ = 550 cm^?1. The non-ligand field band observed at 77K has been interpreted to be the superposition of vabrational mode of SO₄^2? radical on ₃T_1g(F) band.     

Optical investigation of HoFeO3

The absorption spectra of HoFeO₃ were investigated in the near infrared spectral region at temperatures of 1.2, 4.2, 20 and 77 °K respectively. At every temperatureT≦20 °K all the absorption lines show the same splitting which is attributed to the groundstate; this splitting is (7.2±0.5) cm^?1 at 20 °K and decreases to (4.9±0.8) cm^?1 extrapolated to 0 °K. From these splittings the holmium-iron and the holmiumholmium interactions can be deduced. Measurements with an external magnetic field yield a magnetic moment ofμ=(7.6±0.7)μ _B per holmium ion. The moments are directed at angles of ?28° and ?152° with respect to theb-axis.     

Fourth-order zero-field splitting parameters of [Mn(cyclam)Br2]Br determined by single-crystal W-band EPR

Single-crystal W-band (95 GHz) electron paramagnetic resonance (EPR) studies have been performed at 20 K and at room temperature on a tetragonal Mn(III) compound with potential application as a building block for high-spin clusters. The observed EPR spectra correspond to an anisotropic high-spinS = 2 ground state and have been attributed to equivalent centers related by four-fold symmetry. Accurate values for the spin Hamiltonian parameters were obtained from the analysis of the data at both temperatures. At 20 K the contribution of fourth-order zero-field splitting terms was shown to be significant, with parameter values B ₄ ⁰ = 0.0009(3) cm^?1, B ₄ ² = 0.0006(2) cm^?1 and B ₄ ⁴ = 0.0017(3) cm^?1, to be considered together with the second-order parametersD = ?1.1677(7) cm^?1 andE= ?0.0135(6) cm^?1.     

Emission and excitation spectra of Bi2Ge3O9:Eu3+

The emission and excitation spectra of the Bi₂Ge₃O₉:Eu crystal are observed at 77 K and 297 K. The spectra contain groups of sharp lines which are attributed to the transitions within 4f⁶ (Eu³⁺) configuration. The numbers of Stark splitting of terminal levels of transitions from ⁵D₀ and ⁷F₀ multiplets indicate that Eu³⁺ substitutes for Bi³⁺ in Bi₂Ge₃O₉. Tentative assignment of Stark levels of ⁷F_0-4 multiplets is made to crystal quantum numbers of C₃ symmetry which represents the site symmetry of Bi³⁺ in Bi₂Ge₃O₉. The following set of values of crystal field parameters of the C₃ point group is found to give the best overall agreement between the observed energy levels and the calculated levels: B²₀ = -533.84 cm^-1, B⁴₀ = 1085.99 cm^-1, Re(B⁴₃) = 327.57 cm^-1, Im(B⁴₃) = 75.209 cm^-1, B⁶₀ = 185.02 cm^-1, Re(B⁶₃) = - 68.475 cm^-1, Im(B⁶₃) = - 300.45 cm^-1, Re(B⁶₆) = 137.24 cm^-1 and Im(B⁶₆) = 882.29 cm^-1.     

Analysis of the optical spectrum of Ho3+ in LiYF4

The energy levels for Ho³⁺ in single crystal LiYF₄ from 0–21,300 cm^?1 have been determined from polarized absorption and fluorescence spectra using crystals at temperatures between 4 and 300°K. Energy level assignments were made initially by comparing the crystal spectra with energy levels calculated by using crystal field parameters interpolated from previously reported analyses of Nd³⁺, Er³⁺ and Tm³⁺ in LiYF₄. The energy level scheme identifies energy levels in the 10 lowest J-multiplets and gives calculated energies for the next six higher J-multiplets. The crystal field parameters were varied to obtain a best fit between experimental and theoretical energies, and the final values B₂₀ = 410, B₄₀ = ? 615, B₄₄ = 819, B₆₀ = ? 27.9 and B₆₄ = 677 ± i32.8 cm^?1 give an r.m.s. fit of 2.78 cm^?1. The calculations were made by diagonalizing the crystal field Hamiltonian, H_x = Σ_kmB_kmC_km, in the space of ten lowest J-multiplets spanned by intermediate coupled free-ion wavefunctions calculated using the free-ion parameters of Carnall et al. for Ho in aqueous solution. The calculated g_∥ for the Γ_3.4 ground state of 13.63 compares favorably with a previously reported value of 13.3 ± 0.1.     

Photoluminescence of chromium doped CdIn2S4

Well-resolved photoluminescence spectra of CdIn₂S₄: Cr³⁺ recorded at 77K and 2K have been analysed. The R-lines from the doublet ²E-⁴A₂ transition and their associated vibronic spectra have been assigned. These results yield a revised value for the crystal field parameter of B = 618 cm^-1     

Optical investigation of DyFeO3

Optical absorption spectra of DyFeO₃ have been investigated at 1.2≦T≦4.2 °K, andT=77 °K From the temperature dependent lineshift a Néel temperature ofT _N=(3.8±0.5) °K is deduced for the dysprosium sublattices. The groundstate splitting due to the iron-dysprosium interactions is about 1.5 cm^?1 and due to the dysprosiumdysprosium interactions (5.0±1.4) cm^?1. Zeeman studies give the magnetic moment of the dysprosium ions asμ=(9.2±1.0)μ _B.     

Optical absorption spectrum of Cr3+ ion doped in zinc cesium sulphate hexahydrate

Optical absorption spectrum of Cr³⁺ ion doped in zinc cesium sulphate hexahydrate single crystal has been studied both at room and liquid nitrogen temperatures. From the nature and position of the bands a successful interpretation of all the bands could be made assuming octahedral symmetry for the Cr³⁺ ion in the crystal. The observed bands are assigned to the transitions from the ground ⁴A_2g(F) state to the excited ²E_g(G), ²T_1g(G), ⁴T_2g(F) and ⁴T_1g(F) states.The crystal field parameters Dq = 1735 cm^?1, B = 635 cm^?1 and C = 4.75 B are found to give a good fit to the observed band positions.     

EPR, Optical Absorption and Superposition Model Study of Fe3+-Doped Ammonium Dihydrogen Phosphate Single Crystals

X-band electron paramagnetic resonance (EPR) studies are carried out on Fe³⁺ ions doped in ammonium dihydrogen phosphate (ADP) single crystals at room temperature. The crystal field and spin Hamiltonian parameters are evaluated from the resonance lines obtained at different angular rotations. The obtained values of spin Hamiltonian and zero-field parameters of the Fe³⁺ ion in ADP are: g = 1.994 ± 0.002, |D| = (220 ± 5) × 10^?4 cm^?1 and a = (640 ± 5) × 10^?4 cm^?1. On the basis of EPR data, the site symmetry of the Fe³⁺ ion in the crystal is discussed. The Fe³⁺ ion enters the lattice substitutionally replacing the NH₄ ⁺ sites. The optical absorption of the crystal is also studied at room temperature in the wavelength range of 195–925 nm. The energy values of different orbital levels are calculated. The observed bands are assigned as transitions from the ⁶ A _1g (S) ground state to various excited quartet levels of the Fe³⁺ ion in a cubic crystalline field. From the observed band positions, Racah interelectronic repulsion parameters (B and C), cubic crystal field splitting parameter (D _q ) and Trees correction are calculated. There values are: B = 970, C = 1,923, D _q  = 1,380 cm^?1 and α = 90 cm^?1, respectively. On the basis of EPR and optical data, the nature of bonding in the crystal is discussed. The zero-field splitting (ZFS) parameters are also determined theoretically using B _kq parameters estimated from the superposition model. The values of ZFS parameters thus obtained are |D| = (213 ± 5) × 10^?4 cm^?1 and |E| = (21 ± 5) × 10^?4 cm^?1.     

Light-induced charge transfer processes in Mn-doped Bi12GeO20 and Bi12SiO20 single crystals

The optical absorption and ESR spectra of Bi₁₂GeO₂₀ and B₁₂SiO₂₀ doped with Mn have been measured before and after illumination with visible light. Uniaxial stress measurements on a sharp line observed at 8026 cm^?1 were performed. The observed ESR spectrum is a superposition of six lines resulting from the hyperfine interaction of manganese ions in tetrahedral positions. The g-factor and hyperfine constant are g = 1.999 ± 0.003 and A = 78 Gs. Analysis of the light-induced absorption spectrum leads to the conclusion that a small hole polaron bound to an Mn impurity at a tetrahedral site is responsible for the very broad absorption band which appears after illumination. The sharp line is interpreted as due to a transition inside the Mn⁺ center in tetrahedral coordination. Bands in the region 10,000–16,000 cm^?1 are due to Mn³⁺ centers in interstitial positions, whose symmetry can be treated to a first approximation as tetragonal. The following crystal field parameters for this center were found: B = 565 cm^?1, Dq = 1400 cm^?1, Dt = ?330 cm^?1, Ds = 4170 cm^?1 and C = 2260 cm^?1. The illumination conditions which are needed for homogeneous coloration of the sample are also discussed.     

Analysis of the ν6(A″2) band of cyclopropane-d6 recorded under high resolution

The parallel band ν₆(A″₂) of C₃D₆ near 2336 cm^?1 has been studied with high resolution (Δν = 0.020 – 0.024 cm^?1) in the infrared. The band has been analyzed using standard techniques and the following parameters have been determined: B″ = 0.461388(20) cm^?1, D″_J = 3.83(17) × 10^?7 cm^?1, ν₀ = 2336.764(2) cm^?1, α^B = (B″ ? B′) = 8.823(12) × 10^?4 cm^?1, β^J = (D″_J ? D′_J) = 0, and α^C = (C″ ? C′) = 4.5(5) × 10^?4 cm^?1.     

Spin-spin interaction of Dy3+ ions in KY(WO4)2

The spin-spin interaction of Dy³⁺ ions in a KY(WO₄)₂ single crystal is investigated by electron paramagnetic resonance (EPR) spectroscopy at a temperature of 4.2 K and a frequency of 9.2 GHz. The EPR spectra of ion pairs located in different coordination shells are analyzed. It is revealed that the considerable contribution to the spin-spin interaction of the nearest neighbor ion pair nn is made not only by the magnetic dipole-dipole interaction but also by the isotropic exchange interaction with the parameter I _nn = (+601 ± 17) × 10^?4cm^?1. The exchange interaction in pairs of more widely spaced ions is substantially weaker: I _5n = (?38 ± 3) × 10^?4cm^?1 and I _9n = (+18 ± 4) × 10^?4cm^?1. For the other ion pairs, the magnetic dipole-dipole interaction dominates. It is found that the EPR spectra of single ions and ion pairs exhibit a superhyperfine structure associated with tungsten nuclei.     

Far-infrared rotational spectra of some freons; chlorotrifluoromethane,dichlorodifluoromethane, and trichlorofluoromethane

The far-infrared rotational spectra of chlorotrifluoromethane, dichlorodifluoromethane, and trichlorofluoromethane have been observed with an interferometric (Fourier transform) spectrometer in the region 10–40 cm^?1 at a resolution of 0.07 cm^?1. CCl₂F₂ exhibits a continuum spectrum at this resolution, but symmetric top rotational fine structure is observed for CClF₃ and CCl₃F. Isotope splitting is also observed in CClF₃, and analysis yields the rotational constants for C³⁵ClF₃ of B₀ = 0.11112 cm^?1, D_J = 1.6 × 10^?8cm^?1; and for C³⁷ClF₃, B₀ = 0.10835 cm^?1, D_J = 1.5 · 10^?8cm^?1. Isotopic shifts can be allowed for in CCl₃F to yield constants for C³⁵Cl₃F of B₀ = 0.0821 cm^?1, D_J = 1 × 10^?8cm^?1. These values are all in agreement with those deduced from microwave studies of the low J transitions apart from B₀ for C³⁵ClF₃, where the difference is outside the expected experimental error.     

Rotational study and hyperfine effects of the (0,0) band of the B2Σ-X2Σ system of ScS

Rotational analysis of the (0,0) band of the B²Σ-X²Σ transition of ScS is reported. Spectrographic illustration of a hyperfine coupling transition in the ground state is demonstrated for the first time. This enables an order of magnitude to be obtained for γ″ (～0.003 cm^?1). The results for the other constants were: X state: B″ = 0.1971 cm^?1, D″ = 5 × 10^?8cm^?1, 4b = 0.23 cm^?1 (equal to that for ScO within the limits of measurement uncertainty); B state: B′ = 0.1853 cm^?1, D′ = 6 × 10^?8cm^?1, γ′ = ?0.0594 cm^?1, which can be compared with p_A²Π = 0.060 cm^?1. It was found that the two excited states A²Π and B²Σ constitute an excellent example of pure precession (p_pp = 0.058 cm^?1, and this enables the vibrational levels of A²Π to be numbered.     

Electronic and vibrational absorption spectra in falcondoite

Optical absorption spectrum of Ni²⁺ ion in Falcondoite, a new mineral has been studied at 300 K. From the nature and positions of the observed bands a succesful interpretation of all the bands could be made assuming octahedral symmetry for the Ni²⁺ ion in the crystal. The bands at 9255, 15 380 and 27 390cm⁻¹ are assigned to ³T_2g(F), ³T_1g and ³T_1g(P) and the other band at 24385 cm⁻¹ assigned to ¹T_2g(D). The crystal field and the Racah parameters are evaluated to be Dq = 925 cm⁻¹, B = 1000 cm⁻¹ and C = 4095 cm⁻¹. NIR and IR spectra of the sample are also studied. The fundamental vibrational modes of H₂O are identified in the IR spectrum. The bands observed in the NIR spectrum are due to overtones and combination tones of water molecule.     

Electron paramagnetic resonance in deuterated nickel fluosilicate

Electron paramagnetic resonance measurements in single crystals of NiSiF₆. 6D₂O were made at K, Ku and Ka bands at 4.2 K and between 77 K and 300 K. The measured g values were in the range 2.23–2.26, while the zero-field splitting parameter D varied from ?(0.185 ± 0.005) cm^?1 at 4.2 K to ?(0.53 ± 0.01) cm^?1 at 298 K. The parameters of the trimolecular hexagonal unit cell were determined to be approximately a = 9.28 Å, c = 9.58 Å from powder X-ray diffraction measurements at room temperature.     

Hall effect and magnetoresistance of (SN)x films

Hall effect and electrical conductivity have been investigated between 77 K and 300 K and the magnetoresistance at 4.2 K for a number of (SN)_x films deposited at substrate temperatures between — 10 and 50°C. The small magnitude of the Hall mobility (? 1 cm² Vsec^?1 at 300 K) and its activated temperature dependence are interpreted in terms of a heterogenous model for (SN)_x films with thin depletion layers separating highly conductive islands. The hole concentration in these islands (p ≈ 10²¹ cm^?3, the microscopic mobility (μ ≈ 500 cm² Vsec^?1 at 4.2 K) and the temperatures dependence of μ are found to be close to values for (SN)_x crystals.     

Optical investigation of ErFeO3

The absorption spectrum of single crystals of ErFeO₃ has been investigated in the red and near infrared spectral region in the temperature range between 1.2 °K and 4.2 °K and at 20 °K and 77 °K. Between 77 °K and 4.2 °K a constant splitting of the absorption lines is observed. Below the Néel-temperature of the erbium sublattice at 4.5 °K the splitting of the absorption lines increases; the saturation value extrapolated to 0 °K of the splitting of the lowest crystal field level of the⁴ I _15/2 groundterm is (6.08±0.30) cm^?1. By measuring the Zeeman effect the groundstate magnetic moment is determined asμ=(6.6±0.2)μ _B. The measured temperature dependence of the splitting of the lowest crystalfield level of the⁴I_15/2 groundterm is compared with that calculated by a Monte Carlo method.