Magnetic properties of ternary RMn2Si2 and RMn2Ge2 compounds

Magnetic properties of RMn₂Si₂ and RMn₂Ge₂ compounds, where R is a rare earth metal, have been investigated by magnetometric measurements. RMn₂Ge₂ (where R is a light rare earth) and LaMn₂Si₂ are ferromagnets. Remaining compounds have antiferromagnetic properties. DyMn₂Si₂ and ErMn₂Si₂ show ferromagnetic properties at low temperatures. It was confirmed that the value of Curie (or Néel) temperature for the Mn sublattice decreases with increasing c constant.     

Magnetic anisotropy and spin-reorientation in HoAl2

Torque measurements have been performed at several temperatures and magnetic fields, on a single crystal of HoAl₂ in the (1 1 0) plane. The easy magnetization direction changes from the [1 0 0] to [1 1 0] near T_R = 20 K in magnetic fields between 0.2 and 1.6 T. At temperatures below T_R a new non-major cubic symmetry easy direction appears which rotates with temperature in the plane of the sample. This behaviour and that of the complete torque curves have been interpreted on the basis of a single ion model.     

The influence of easy direction of magnetisation on 59Co NMR spectrum in R2(Co1−xMnx)17 compounds

The spin echo NMR spectra of ⁵⁹Co in R₂(Co_1-xMn_x)₁₇, (R = Y, Gd) measured at 4.2 K are reported. The large shift of resonance lines is observed, that is explained as caused by reorientation of easy axis of magnetisation from easy plane to easy direction (c axis). It is suggested to explain quantitatively the spectra, that only two of four Co sites (9d and 18f) in R₂Co₁₇ structure play a dominant role in determining of anisotropy energy and the Co atoms at the 6c sites (“dumb-bell” atoms) give no direct contribution to the anisotropy energy of the compound. The corresponding changes of local anisotropy energy and the orbital part of cobalt magnetic moment characteristic for each of cobalt structural sites are calculated and discussed.     

Magnetic properties of RAu2Si2 rare earth compounds

The magnetic properties of the R Au₂Si₂ compounds with R = Ce-Er have been investigated. It was found that the compounds for which R = Ce, Sm, Gd, Tb and Dy are antiferromagnetically ordered at temperatures ranging from 5.7 to 15.9°K. PrAu₂Si₂ and NdAu₂Si₂ exhibit paramagnetic behavior for temperatures as low as 4.2°K. The magnetic structure is ferrimagnetic for the compounds in which R = Eu, Ho, and Er. The Eu compound is in the divalent state. The Néel and Curie points for this system do not follow the De-Gemnes function. Curie-Weiss Behavior is exhibited by all the compounds with effective moments in good agreement with that of a free tripositive lanthanide ion. The difference in magnetic properties between R Au₂Si₂ and the isomorphous R Fe₂Si₂ series is discussed.     

Magnetic properties of the rare-earth diborodicarbides (RB2C2)

The magnetic susceptibility of RB₂C₂ has been measured in the temperature range of 3–300 K. Curie-Weiss fits to the susceptibilities led to effective moments in agreement with those expected for R³⁺ ions. The RB₂C₂ (R = Ce, Nd, Sm, Gd, Tb, Er, and Tm) compounds are antiferromagnetic. Metamagnetic transitions at low fields were observed for CeB₂C₂ and TbB₂C₂. The compounds, DyB₂C₂ and HoB₂C₂, are ferromagnets with complex magnetic structures. Praseodymium borocarbide becomes a Van Vleck paramagnet at low temperature. The magnetic ordering temperatures of these compounds are discussed in terms of their crystal structure and the RKKY theory.     

Characterization and electrical properties of V2O5-CuO-P2O5 glasses

Characterization and electrical properties of vanadium-copper-phosphate glasses of compositions xV₂O₅-(40−x)CuO-60P₂O₅ have been reported. X-ray diffraction (XRD) confirms the amorphous nature of these glasses. It was observed that, the density (d) decreases gradually while the molar volume (V_m) increases with the increase of the vanadium oxide content in such glasses. This may be due to the effect of the polarizing power strength, PPS, which is a measure of ratio of the cation valance to its diameter. The dc conductivity increases while the activation energy decreases with the increase of the V₂O₅ content. The dc conductivity in the present glasses is electronic and depends strongly upon the average distance, R, between the vanadium ions. Analysis of the electrical properties has been made in the light of small polaron hopping model. The parameters obtained from the fits of the experimental data to this model are reasonable and consistent with glass composition. The conduction is attributed to non-adiabatic hopping of small polaron.     

N2-broadening coefficients in the ν2 and ν4 bands of PH3

N₂-broadening coefficients are measured for 61 transitions of PH₃ in the ^QR branch of the ν₂ band and the ^PP, ^RP, ^SP, and ^PQ branches of the ν₄ band, using a tunable diode-laser spectrometer. The recorded lines with J values ranging from 1 to 16 and K from 0 to 11 are located between 1008 and 1106 cm⁻¹. The collisional widths are determined by fitting each spectral line with a Voigt profile, a Rautian profile, and a speed-dependent Rautian profile. The latter models provide larger broadening coefficients than the Voigt model. These coefficients have also been calculated on the basis of a semiclassical model of interacting linear molecules by considering an atom-atom Lennard-Jones potential in addition to the electrostatic contributions. The theoretical results are in good agreement with the experimental data and reproduce the J dependence of the broadenings, but their decrease at high J values is overestimated for the ^QR (J, K) transitions.     

Exchange-striction of rare earth-Al2 laves phase compounds

The exchange-striction of the cubic Laves phase compounds R-Al₂ (R =Gd, Tb, Dy, and Ho) has been determined at 0 K from measurements of thermal expansion. The results are interpreted in terms of rare earth sublattice (R-R) interactions, using the molecular field approximation. It is found that the signs of the strain derivatives of the molecular field constants are positive for Dy-Al₂ and Ho-Al₂ and negative for Gd-Al₂ and Tb-Al₂ compounds.     

N2-broadening coefficients in the ν2 and ν4 bands of PH3 at low temperature

N₂-broadening coefficients have been measured for 41 transitions of PH₃ at −100 °C in the ^QR branch of the ν₂ band and the ^PP, ^RP, and ^SP branches of the ν₄ band, using a tunable diode-laser spectrometer. The recorded lines with J values ranging from 1 to 13 and K from 0 to 10 are located between 1026 and 1093 cm⁻¹. The collisional widths are determined by fitting each spectral line with a Voigt profile, a Rautian profile, and a speed-dependent Rautian profile. The latter models provide larger broadening coefficients than the Voigt model. These coefficients have also been calculated on the basis of a semiclassical model of interacting linear molecules by considering an atom-atom Lennard-Jones potential in addition to the electrostatic contributions. By comparing broadening coefficients at room and low temperatures, the temperature dependence of these broadenings has been determined both experimentally and theoretically.     

Optical and acoustic properties of TeO2/WO3 glasses with small amount of additive ZrO2

The optical and acoustic properties of tellurite glasses in the system TeO₂/ZrO₂/WO₃ have been investigated. The refractive index at different wavelengths and the optical spectra of the glasses have been measured. From the refractive index and absorption edge studies for prepared glasses, the optical parameter viz; optical band gap (E_opt), Urbach energy, (ΔE), dispersion energy, E_d, and the average oscillator energy, E₀, have been calculated. Sound velocities were measured by pulse echo technique. From these velocities and densities values, various elastic moduli were calculated. The variations in the refractive index, optical energy gap and elastic moduli with WO₃ content have been discussed in terms of the glass structure. Quantitatively, we used the bond compression model for analyzing the room temperature elastic moduli data. By calculating the number of bonds per unit volume, the average stretching force constant, and the average ring size we can extract valuable information about the structure of the present glasses.     

Stability of the long-period stacking order in Mg3ln AND Mg3(In1−yCdy) alloys

The stability of the stacking ordered structures of close-packed layers in Mg-In alloys near Mg₃In and pseudo-binary alloys Mg₃(In_1?yCd_y) for 0 ? y ? 1 is studied from a standpoint based on the pseudopotential theory. An expression of the structure-dependent energy for an arbitrary type of layer stacking is given by the method described in the previous papers [1,2]. The numerical results explain well the observed trends in the composition and pressure dependences of stacking sequence; the orders of appearance of stacking variants are 3R → 12R → 2H with an increasing Mg-content for Mg-In alloys near Mg₃In, 12R → 18R → 2H with an increasing Cd-content for Mg₃(In_1?yCd_y) and 12R → 18R → 24R with an increasing pressure for Mg₃ln. Speaking in detail, however, the present calculation fails to reproduce a 12R-structure (β₁-phase) at 25% In in the Mg-In system, an 18R-structure of Mg₃(In_0.65Cd_0.35) and an 18R-structure of Mg₃In found under pressure of 20–55 kb, although the energy differences are small in all the cases. From the analysis of components of the structure-dependent energy, it is concluded that the favorable type of layer stacking is determined predominantly by a contribution from the band-structure energy term of a state with the disordered arrangement of constituent atoms and also that an energy required to the alternation of stacking of layers is apparently smaller than the ordering energy. If a specific layer sequence is characterized by a hexagonality, the alloys vary their sequences in such a way that the hexagonality increases from zero (3R) to unity (2H) as the electron-to-atom ratio of the alloys decreases from 2·3 to 2·0.The Ewald and Madelung constants are calculated for various types of layer structure. Both constants change linearly with hexagonality, without regard to period, symmetry and layer sequence.     

Hyperfine interaction of Eu in Eu2TiO4

The hyperfine interaction of ¹⁵¹Eu in Eu₂TiO₄ has been measured using the Mössbauer Effect. Using the four-fold symmetry of the Eu²⁺ site, it has been found that the nuclear quadrupole moment ratio of the first-excited to the ground states of ¹⁵¹Eu is R = 1.34 ±0.03, and the quadrupole interaction energy is ρ²qQ_o = -(190 ± 7) MHZ. Below T_c = 7.8K, the magnetic hyperfine field H_hf points close to the direction of the four-fold axis. The zero-degree value of H_hf is estimated to be (305 ± 3) kOe.     

Infrared laser magnetic resonance (LMR) spectroscopy of NO2 (ν2) with a CO2 laser

The infrared laser magnetic resonance spectra for the ν₂ band of NO₂ were observed by using a CO₂ laser. High-K vibration-rotation transitions from ^rR₆(N) to ^rR₁₁(N) (v₂ = 1 ← 0) were observed. The analysis yielded some molecular parameters including two g factors for the excited vibrational state (v₂ = 1).     

Low and room temperature measurements and calculations of O2-broadening coefficients in the ν3 band of CS2

O₂-broadening coefficients have been measured for 16 lines in the P and R branches of the fundamental ν₃ band of ¹²C³²S₂ at room and low temperatures (298.0, 273.2, 248.2, 223.2, and 198.2 K), using a tunable diode laser spectrometer and a low temperature cell. These lines from P(62) and R(64) are located in the spectral range 1519-1547 cm⁻¹. The collisional half-widths are obtained by fitting each observed profile with the Voigt and Rautian lineshape models. The broadening coefficients have also been calculated at all experimental temperatures using a semiclassical calculation performed by considering in addition to the electrostatic quadrupole-quadrupole interaction, a simple anisotropic contribution. Finally, from all the results, the parameter n of the temperature dependence of the broadening coefficients has been determined both experimentally and theoretically.     

Strengths of single lines in the 12C16O2, ν3 band at 4.3 μm

Individual line strengths have been measured in the 4.3-μm ν₃ absorption band of ¹²C¹⁶O₂ from R46 to R90 using a vacuum grating spectrometer. Approximately 1100 measurements were made at pressures from 0.16 to 100.0 Torr, path lengths from 3.25 to 2331 cm, and temperatures from 246 to 338 K. The standard deviations of the measurements varied from 5 to 10%. The mean value of the vibrational dipole matrix element squared obtained is {R_if}² = 0.1103 ± 0.0085 D².     

Structural, elastic constants, hardness, and optical properties of pyrite-type dinitrides (CN2, SiN2, GeN2)

The crystal structures, band structures, elastic constants, hardness, and optical properties of pyrite-type dinitrides (CN₂, SiN₂, and GeN₂) are obtained from the density functional theory using the plane-wave pseudopotential (PWP) method within the local density and generalized gradient approximations. The formation enthalpies for AN₂ (A=C, Si, and Ge) compounds suggest the three structures that are stable. The calculated band structures show the indirect gaps (Γ−R) in CN₂, SiN₂, and GeN₂. The intrinsic hardnesses of AN₂ (A=C, Si, and Ge ) compounds are calculated. Our results show that the cubic CN₂ and SiN₂ are superhard materials. Furthermore, we studied the optical properties such as the complex dielectric function and the electron energy loss spectra.     

Raman and far-infrared spectra of NaCrS2

The Raman and far-infrared spectra of the layer structure compound NaCrS₂ have been investigated. Two Raman active modes have been identified and their observed symmetries are in accord with the R$\text{3}$m space group symmetry of NaCrS₂. Three of the four predicted infrared active modes have been observed. One of the infrared modes appears as a strong reststrahlen band indicating that the bonding in NaCrS₂ is partially ionic.     

Line profile study from diode laser spectroscopy in the CH4 2ν3 band perturbed by N2, O2, Ar, and He

We present a line profile study for two lines in the 2ν₃ band of CH₄ recorded with a frequency stabilized tunable diode laser spectrometer. The broadening and narrowing (Dicke effect) parameters of the R(0) line perturbed by N₂, O₂, and He are derived from a simultaneous fitting of spectra at pressures from 20 to 300 Torr by using the soft and hard collision models. These parameters are determined for the A and F components of the unresolved R(3) manifold perturbed by N₂, Ar, and He from the line profile analysis of spectra at pressures between 50 and 500 Torr. The line mixing effect between the two F components is also taken into account and the absorber speed dependent effect on broadening is estimated for N₂ and Ar.     

K-shell excitation spectra of CO,N2 and O2

Electron energy loss spectra of CO, N₂ and O₂ have been recorded in the regions of carbon, nitrogen and oxygen K-shell excitation and ionisation. These results are compared to previous energy loss, photoabsorption and theoretical studies of the same spectral regions. Several inconsistencies in the published spectra are clarified in the present work. Comparisons with recent calculations of the K-shell continua of these molecules are presented. Vibrational structure in the K → π * transitions of CO (C 1s) and N₂ (N 1s) has been resolved in high-resolution studies (< 0.1 eV FWHM) of these species.     

Luminescence and energy transfer in Y2O3 CO-doped with Bi3+ and Eu3+

The emission spectra and decay times of the Y₂O₃ CO-doped with Bi³⁺ and Eu³⁺ have been investigated using site-selective excitation and time-resolved spectroscopy in the temperature range 8–296 K. Evidence for an energy transfer from Eu³⁺(S₆) to Eu³⁺(C₂) is given. The critical transfer distance R₀ = 8.6 Å was found from the decay curve.