Infrared lattice vibrations of PbGa2S4

Infrared reflectivity spectra of PbGa₂S₄ single crystals are measured at room temperature in the wavenumber range from 30 to 4000 cm⁻¹ for the polarization directions E ∥ c and E ∥ b. The frequencies of 13 B_1u modes and 11 B_2u modes are derived from the spectra. The results are compared with previous studies and with lattice vibration data of ternary chalcopyrite and defect-chalcopyrite compounds.     

Infrared Lattice Vibrations of CdGa2Te4

Infrared reflectivity spectra of CdGa₂Te₄ crystals are measured at room temperature in the wavenumber range from 180 to 600 cm⁻¹ for the polarization directions E ⊥ c and E ‖ [111]. The frequencies of two E modes and two B modes are derived from the spectra. The frequencies of the modes with highest energy compare well with those of the corresponding modes in CuGaTe₂ and AgGaTe₂ which confirms the sphalerite-like nature of these modes.     

Vibrational properties of CdGa2S4

Polarization-dependent infrared reflectivity spectra of CdGa₂S₄ are measured at 300 K in the wavenumber range from 180 to 500 cm⁻¹. The analysis of the spectra yields three E and four B modes in this frequency range. The results are compared with previously published data and a final identification of the infrared active modes in CdGa₂S₄ is proposed. It is shown that the two-phonon absorption spectra of CdGa₂S₄ can be interpreted in terms of zone-centre two-phonon combination modes. The relation between the lattice vibrational properties of chalcopyrite and defect-chalcopyrite compounds is discussed.     

The superposition of the lattice radiation and reflectivity spectra of MoO3 and PbMoO4 crystals

The Raman scattering of MoO₃ at 300 and 77 K and the infrared reflectivity spectra of MoO₃ at 300 K have been investigated in different scattering geometries. The Raman spectra of PbMoO₄ crystals at 77 K have been investigated also. The reflectivity spectra of MoO₃ crystals were calculated for E ∥ c and E ∥ a. The phonon parameters and the effective ionic charges of anions and cations for MoO₃ and PbMoO₄ crystals are determined. The diagrams of the splitting of the vibrational levels by the Davydov resonance and by the factor group interactions have been determined. It is shown that the lattice radiation of crystals which have a number of vibrational oscillators (MoO₃, PbMoO₄) begins at low energy vibrational modes and at low values of the damping parameters.     

EPR spectra of Cr3+-doped LuNbO4 crystals

Ferroelastic LuNbO₄ single crystals containing 0.3 at. % Cr³⁺ ions have been grown by the floating zone technique, and their EPR spectra have been studied at a frequency of 9.8 GHz at room temperature. The lines on the spectra are due to the transitions caused by three paramagnetic centers formed as a result of the replacement of one isovalent position of a Lu₃₊ ion and two nonisovalent positions of Nb₅₊ions by Cr₃₊-ions. As a result of twinning, the line number is doubled and four principal directions arise along which the same spectra are obtained. The spectra of these centers were described by a spin Hamiltonian with S = 3/2, the D and E parameters ranging from 0.024 to 0.17 cm^?1, and the g-factors g ∥ = 1.75–2.20 and g ⊥ = 1.90–2.13.     

Two-Phonon Combination Mode Spectra of AgGaS2

Absorption spectra of (001)-oriented AgGaS₂ single crystals are measured in the wavenumber range from 400 to 900 cm⁻¹. The spectra exhibit 12 structures due to two-phonon combination modes which can be all interpreted as sum modes of zone-centre phonons. Possible frequencies for the B₁ and A₂ modes are discussed. The results obtained are compared with second-order Raman spectra of the compound.     

IR and X-Ray Powder Diffraction Studies on Ba2Me(HCOO)6. 4 H2O (Me = Co,Ni, Zn)

It has been established that the double salts Ba₂Me(HCOO)₆. 4 H₂O (Me = Co, Ni, Zn) are isostructural with Ba₂Cu(HCOO)₆. 4 H₂O (trinclinic space group P1 = C¹_i). The infrared spectra of the double salts and their deuterated analogues have been recorded and the internal modes of the formate groups and the water molecules are reported. The analysis of the infrared spectra indicates that some of the internal formate modes (v₃ and v₄) reflect the existence of three crystallographically independent formate ions. The comparatively large frequency separations between the asymmetric and symmetric C–O stretching modes is a criterion for the different C–O bond lengths within each formate groups. The number and the positions of the bands in the high frequency range (4000–2300 cm⁻¹) are evidence for the existence of two inequivalent water molecules. The apearance of four uncoupled O–D modes in the spectra of the isotopically dilute samples shows that the water molecules are asymmetric. The librational modes of the water molecules are discussed as well.     

Low frequency Raman scattering in chalcogenide glasses

Low frequency Raman spectra of chalcogenide glasses are analyzed in terms of matrix element effects and modes of a layered structure. The spectra of GeSe₂ at low temperature shows no peaks which can be assigned to layer modes. The reduced spectra indicates that the density of states exhibits nearly ω² dependence for ω < 60 cm^?1, and the coupling constant approaches ω² dependence at frequencies less than 20 cm^?1.     

Infrared lattice vibration study of CuIn5S8

Infrared reflectivity spectra of the spinel compound CuIn₅S₈ are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹. It is found that the spectra are dominated by two strong modes with frequencies and oscillator strengths that are practically equal to those of the corresponding modes in the normal spinels of type A^IIIn₂S₄. A very weak additional mode at 357 cm⁻¹ is ascribed to a secondary tetragonal phase previously observed in as-grown CuIn₅S₈ single crystals.     

Infrared reflectivity of ZnIn2Te4

Infrared reflectivity spectra of ZnIn₂Te₄ single crystals are measured at room temperature in the wavenumber range from 170 to 4000 cm⁻¹. The spectra reveal a single vibrational mode the frequency of which compares well with the frequencies of the high-energy infrared active modes in HgIn₂Te₄, CuInTe₂ and AgInTe₂. It is concluded that these modes are sphalerite-like in nature and that they are essentially determined by the properties of the In—Te bond.     

Infrared Optical Characterization of Thermally Oxidized CuInSe2 Single Crystals

Infrared reflectivity spectra of thermally oxidized CuInSe₂ single crystals are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹. A Kramers-Kronig analysis of the spectra reveals seven vibrational modes with frequencies which agree with mode frequencies in In₂O₃. No vibrational modes due to Cu–O and Se–O bonds could be observed. The results obtained are compared with previous studies of oxidized CuInSe₂ crystals.     

Infrared Lattice Vibrations in NaGaO2

Infrared reflectivity spectra of NaGaO₂ samples prepared from powdered material are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹. An analysis of the spectra with the Kramers-Kronig method reveals 16 vibrational modes. From a comparison of the results for NaGaO₂ with previous measurements on the isostructural compound LiGaO₂ conclusions are made with regard to the Ga–O and Na–O bond related vibrational modes.     

Infrared lattice vibrations of CdIn2Se4

Infrared reflectivity spectra of CdIn₂Se₄ single crystals are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹ for the polarization directions E ⟂ c and E ‖[112]. The spectra reveal two vibrational modes with nearly the same frequencies for both polarization directions. The frequencies of the modes with highest energy compare well with the corresponding mode frequencies in ZnIn₂Se₄, CuInSe₂ and AgInSe₂. It is concluded that these modes are sphalerite-like in nature and that their frequencies are essentially determined by the properties of the In Se bond.     

Lattice Vibrations and Interatomic Forces in LiInS2

Infrared reflectivity spectra of LiInS₂ are measured at room temperature in the wave-number range from 180 to 4000 cm⁻¹. The parameters of four optical modes are determined by a dispersion analysis of the spectra. From the interatomic force constants determined from the sphalerite-like modes in the lattice vibration spectrum it follows that the Li–S bond is considerably weaker than the In S bond.     

Elektronenmikroskopische Untersuchungen zur Oxidkeimbildung an Reineisenoberflächen

During a high temperature treatment of pure α-iron crystals under vacuum conditions (po₂ = 1 · 10⁻⁴ … 1 · 10⁻⁶ torr) single oxide nuclei originate on the crystal surfaces. The oxide was identified as γ-Fe₂O₃. From the definite shape of the nuclei on (100) oriented α-iron and from their orientations relative to the iron lattice an epitaxial growth may be concluded, following the well-known relation (100)_Fe ∥ (100)_Oxide; [100]_Fe ∥ [110]_oxide. Grown-in dislocations, surface steps and grain boundaries of the matrix were decorated by the oxide nuclei. However, oxide nuclei did not originate at the emergent points of fresh dislocations.     

Infrared optical properties and crystal structure of Cu2GeS3

Infrared reflectivity and transmission spectra of Cu₂GeS₃ are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹. From an analysis of the spectra the parameters of the fundamental infrared active lattice modes and of the two-phonon combination modes are determined. From a comparison of the experimental data with group theoretical predictions for the structure models proposed for Cu₂GeS₃ in the literature it is concluded that Cu₂GeS₃ crystallizes in a monoclinic lattice.     

Multimode phonon structure of Be‐containing II ‐ VI mixed crystals determined by IR spectroscopic ellipsometry

Spectroscopic ellipsometry in the infrared spectral range 250‐5000 cm^‐1 is used for analysis of the dielectric response of Zn_1‐x‐yBe_xMg_ySe and Zn_1‐x‐yBe_xMn_ySe crystals grown by a high‐pressure Bridgman method. Ellipsometric spectra display features in the spectral range 390‐500 cm^‐1 associated with BeSe‐type phonon modes. In the optical spectra of Zn_1‐x‐yBe_xMg_ySe crystals both BeSe‐type and MgSe‐type lattice absorption bands are detected. The MgSe‐like modes are located at approximately 300 cm^‐1. The complex dielectric functions can be reproduced using a model with two or three and one or two classical damped oscillators corresponding to the BeSe‐like and the MgSe‐like transverse‐optical phonon modes, respectively. The frequencies of longitudinal‐optical phonons have been derived from the dielectric loss functions. A red‐shift of the BeSe‐like phonons frequencies with a mean rate 0.42 cm^‐1 (0.50 cm^‐1) per mole percent of Mg (Mn) incorporated to the alloy has been found for examined concentration range x, y ≤ 0.25. A noticeable damping the intensities of BeSe‐type modes with increasing fraction of Mg and Mn dopant is observed in comparison to the strengths of BeSe‐type modes in Zn_1‐xBe_xSe crystals. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Infrared lattice vibrations in CuGe2P3

Infrared reflectivity spectra of CuGe₂P₃ single crystals are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹. From an analysis of the spectra the parameters of five vibrational modes are determined. The results are discussed in terms of the Keating model and are compared with lattice vibrational data for ZnGeP₂, CdGeP₂, and CuSi₂P₃.     

Infrared Lattice Vibrations of TI3AsS4

Infrared reflectivity spectra of TI₃AsS₄ single crystals are measured at room temperature in the wavenumber range from 30 to 4000 cm⁻¹ for the polarization directions E ‖ c and E ‖ a. An analysis of the spectra with the Kramers-Kronig method reveals 10 infrared active modes for each of the polarization directions. On the basis of theoretical estimates the modes due to TI-S and As–S bond vibrations are identified.     

Infrared lattice vibrations in Cu2GeSe3

Infrared reflectivity spectra of Cu₂GeSe₃ are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹. From an analysis of the spectra the parameters of four vibrational modes are determined. The experimental results are compared with predictions from group theory. From a comparison of the results for Cu₂GeSe₃ with the vibrational characteristics of other chalcogenides it follows that the force constants of cation-chalcogen bonds increase with increasing valence of the cation.