Comparative kinetic stability of classical and non-classical fullerenes C46

Molecular dynamics is used to study the kinetic stability of a classical fullerene C₄₆ and its non-classical analog with a square. The lifetimes of both clusters till the moments of their isomerization are directly calculated as functions of temperature. The activation energies _Ea$E_a$ of isomerization processes are determined from the fits of the results obtained to the Arrhenius law. For the non-classical fullerene, the value of _Ea=3.1±0.2 eV$E_a=3.1\pm 0.2\text{eV}$ is found to be considerably below that for the classical one, _Ea=4.5±0.3 eV$E_a=4.5\pm 0.3\text{eV}$. In view of rather low kinetic stability of non-classical C₄₆, its experimental registration in a gas phase seems to be problematic.     

Terahertz spectroscopy of multiferroic EuFe3(BO3)4

The terahertz spectra of a rare-earth iron borate with the huntite structure are obtained for the first time. We study the low-temperature (4.0–90 K) α-polarized transmittance spectra of the EuFe₃(BO₃)₄ single crystal in the region 0.9–6.0 THz. Pronounced shifts of phonon frequencies and appearance of new phonon modes at the temperature _TS=58 K$T_S=58\text{K}$ of the R32→P₃₁21$R32\to P{3}_{1}21$ structural phase transition are observed. Additional shifts of phonon frequencies occur at the temperature _TN=34 K$T_N=34\text{K}$ of the magnetic ordering of the Fe subsystem, thus evidencing the spin–phonon coupling in this multiferroic material.     

Linear and nonlinear intersubband optical absorption and refractive index change in asymmetrical semi-exponential quantum wells

Linear and nonlinear intersubband optical absorption and refractive index change in asymmetrical semi-exponential quantum wells are theoretically investigated within the framework of the compact–density–matrix approach and iterative method. The wave functions are obtained by using the effective mass approximation. The energy levels are obtained by numerical method. It is found that the optical absorption coefficients and refractive index changes are strongly affected not only by σ   and _U0$U_0$, but also by the incident optical intensity.     

Search for solar axions with mass around 1 eV using coherent conversion of axions into photons

A search for solar axions has been performed using an axion helioscope which is equipped with a 2.3-m long 4 T superconducting magnet, a gas container to hold dispersion-matching gas, PIN-photodiode X-ray detectors, and a telescope mount mechanism to track the sun. A mass region around ma=1 eV$m_a=1\text{eV}$ was newly explored. From the absence of any evidence, analysis sets a limit on axion–photon coupling constant to be g_aγγ<5.6–13.4×¹⁰⁻¹⁰ GeV⁻¹$g_{a\gamma \gamma }<5.6\text{–}13.4\times {10}^{\mathrm{-10}}{\text{GeV}}^{\mathrm{-1}}$ for the axion mass of 0.84<ma<1.00 eV$0.84<m_a<1.00\text{eV}$ at 95% confidence level. It is the first result to search for the axion in the g_aγγ–ma$g_{a\gamma \gamma }\text{–}{m}_a$ parameter region of the preferred axion models with a magnetic helioscope.     

A Mössbauer study of amorphous Fe40Ni40B20

Amorphous Fe₄₀Ni₄₀B₂₀ (VITROVAC 0040) alloy has been investigated using ⁵⁷Fe Mössbauer Spectroscopy. The Curie temperature T_c is found to be well defined and is 695 ± 1 K. The quadrupole splitting just above T_c is 0.64 mm sec^?1. The crystallization temperature is 698 ± 2 K, close to but definitely above T_c. The average hyperfine field H_eff(T) of the glassy state shows a temperature dependence of $\text{H}{}_{\mathrm{<mtext>eff</mtext>}}\text{(0)[1 ? B}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}\text{(T/T}{}_{\mathrm{c}}\text{)}{}^{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}\text{? C}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}\text{(T/T}{}_{\mathrm{c}}\text{)}{}^{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}\text{? …]}$ indicative of the existence of spin wave excitations. The values of $\text{B}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}$ and $\text{C}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}$ are found to be 0.40 and 0.06, respectively, for T/T_c ? 0.72. At temperatures close to T_c, H_eff(T) varies as (1 ? T/T_c)^β where β is one of the critical exponents and its value is found to be 0.29 ± 0.02.     

Band structural properties of MoS2 (molybdenite)

Semiconductivity and superconductivity in MoS₂ (molybdenite) can be understood in terms of the band structure of MoS₂. We present here the band structural properties of MoS₂. The energy dependence of n_eff and ε_xeff is investigated. Using calculated values of n_eff and ε_xeff, the Penn gap has been determined. The value thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from the band structure. The Ravindra and Srivastava formula has been shown to give values for the isobaric temperature gradient of $\text{E}{}_{\mathrm{G}}\text{[}\text{(?E}{}_{\mathrm{G}}\text{?T)}{}_{\mathrm{P}}\text{]}$, which are in agreement with the experimental data, and the contribution to $\text{(}\text{?E}{}_{\mathrm{G}}\text{?T)}{}_{\mathrm{P}}$ due to the electron lattice interaction has been evaluated. In addition, the electronic polarizability has been calculated using a modified Lorentz-Lorenz relation.     

Infrared optical properties of MoSe2

The infrared absorption spectrum of a single crystal of MoSe₂ is reported. A damped oscillator fit to the fundamental band gives the transverse optic frequency, $\text{Ω}{}_{\mathrm{TO}}\text{= 277}\text{cm}{}^{-1}$ at 300° K and $\text{Ω}{}_{\mathrm{TO}}\text{= 283}\text{cm}{}^{-1}$ at 77° K. The static and high frequency dielectric constants have been determined as K_s = 16.81 and K_∞ = 10.24 respectively. An absorption band appears in the i.r. spectrum at 482 cm^-1, and has been attributed to the oxygen impurity in the crystal.     

Selection rules for optical transition probabilities in superlattices

Based on numerical evaluations of the transition probabilities, and using true superlattice eigenfunctions derived from the theory of finite periodic systems, new superlattice selection rules are obtained. We show that the evaluation of the large number N   of the possible recombination transitions reduces by a factor of two. We also show that taking into account these selection rules, the theoretical calculations for specific blue emitting GaN?(In_xGa_1-xN?In_yGa_1-yN)ⁿ?GaN$\text{GaN}?({\text{In}}_x{\text{Ga}}_{1-x}\text{N}?{\text{In}}_y{\text{Ga}}_{1-y}\text{N}{)}^n?\text{GaN}$ superlattices agree with those reported by Nakamura et al. [1].     

Determining the mass for a light gravitino

Gauge mediated supersymmetry breaking scenarios with an ultra-light gravitino of mass m_3/2=1–10 eV$m_{3/2}=1\text{–}10\text{eV}$ are very interesting, since there is no cosmological gravitino problem. We propose a new experimental determination of the gravitino mass for such an ultra-light gravitino, by measuring a branching ratio of two decay modes of sleptons.     

Resonant photoemission at the 3p-threshold of Ge and GeO2

Resonant photoemission final states are reported for the elemental semiconductor Ge and its oxide GeO₂ at the Ge3p photothresholds. The line positions and the multiplet structure of the resonating peaks identifies them as an atomic-like 3d⁸ configuration. Differences in the intensity profiles and the exact location of the resonance reveal the importance of a change in initial state electron configuration for this basically atomic effect. The effective Coulomb interaction between the two 3d-holes is $\text{U}{}_{\mathrm{eff}}\text{(}{}^1\text{G) = 12.8, 13.2 ± .2}\text{eV}$ for Ge and GeO₂ respectively. A review of all elemental results then allows the restriction of this resonance to elements between Fe and Rb. The line positions of the resonant final states of the remaining elements As, Se, Br, Kr can then approximately be predicted.     

High accuracy energy-level calculations of the rotational-vibrational weakly bound states of ddμ and dtμ mesic molecules

Calculations are performed of the nonrelativistic energies $\text{E}{}_{\mathrm{JV}}$ of rotational-vibrational weakly bound states J = ν = 1 of ddμ and dtμ mesic molecules: $\text{E}{}_{11}\text{(}\text{dd}\text{μ) = ? 1.956}\text{eV}$ and $\text{E}{}_{11}\text{(}\text{dt}\text{μ) = ? 0.656}\text{eV}$ with an accuracy of 0.001 eV. With the relativistic effects and nuclear finite size corrections taken into account the result is: $\text{E}{}_{11}\text{(}\text{dd}\text{μ) = ? 1.946}\text{eV}$ and $\text{E}{}_{11}\text{(}\text{dt}\text{μ) = ? 0.634}\text{eV}$.     

Singularities in d2V/dI2 dependences of point contacts between ferromagnetic metals

The “point-contact (PC) spectroscopy” of elementary excitations in solids studied earlier in normal metals (or superconductors) is extended to include ferromagnetic metals. Together with phonon PC spectra, strong singularities at energies eV_c = 0.19eV and $\text{eV}{}_{\mathrm{c}}\text{≌ 0.28}\text{eV}$ are reported, in case of Ni and Fe, respectively. The position of a singularity is related to the Curie temperature of a ferromagnet by the relation eV_c = 3.63kT_c. Theoretical interpretation of the phenomena reveals the possibility of extracting the magnon-dependent part of resistivity of the metal at high current densities and thus studying electron-magnon, as well as electron-phonon, interactions.     

Interpretation of the optical absorption spectrum of Co3O4 with normal spinel structure from first principles calculations

First principles calculations based on density functional theory have been employed to study the electronic, magnetic and optical properties of Co₃O₄ in a cubic normal spinel structure. Exchange and correlation effects between electrons were treated by a B3PW91 hybrid functional, which produced better results than others scheme, such as GGA+U or PBE0 hybrid functionals or mBJ semilocal potential. The work focuses on clarifying the nature of the optical absorption bands, which have motivated various theoretical and experimental works in the literature. The calculated optical absorption spectrum was compared with available experimental data. On the basis of this calculated electronic and magnetic structure, the optical absorption peaks (theoretical and experimental) could be satisfactorily explained in terms of d3d   charge transfer transitions between both CO²⁺${\mathrm{CO}}^{2^{+}}$→CO²⁺${\mathrm{CO}}^{2^{+}}$ and CO³⁺${\mathrm{CO}}^{3^{+}}$→CO³⁺${\mathrm{CO}}^{3^{+}}$ ions. The calculations also predicted that the crystal field splittings at both octahedral and tetrahedral sites in the Co₃O₄ compound are of the same magnitude.     

LHC reach of low scale gauge mediation with perturbatively stable vacuum

Very light gravitino scenario m_3/2?16 eV$m_{3/2}?16\text{eV}$ is very interesting, since there is no cosmological problem. However in such a scenario, stability of the vacuum is an important issue. Recently, Yonekura and one of the authors RS have investigated the parameter space of a low scale gauge mediation with a perturbatively stable vacuum and found that there are severe upper bounds on the gaugino masses. In this Letter, we show that such a model can be completely excluded/discovered at very early stage of the LHC run.     

Opto-electronic properties of gallium chalcogenides

A study of opto-electronic properties of gallium chalcogenides (GaS, GaSe and GaTe) is presented here. An investigation into the various effective charge parameters ($\text{Z}{}_{\mathrm{<mtext>eff</mtext>}}\text{, e}{}^1{}_{\mathrm{s}}\text{, e}{}^1{}_{\mathrm{T}}\text{and}\text{e}{}^1{}_{\mathrm{i}}$ and their correlation with ionicity have been done. The energy dependence of optical effective charge parameter (n_eff) have been discussed with respect to the band structure of respective chalcogenides. The low frequency optical dielectric constants (?₀₀) have been derived using reflectivity data and the obtained values of ?₀₀ have been found in agreement with the values obtained using Moss relation as also with the reported experimental data. The difference in the arrangement of fundamental structures of GaS and GaSe on one hand and GaTe on the other hand does not seem to effectively change the opto-eleetronic properties and the fundamental structure (which is common in all the three chalcogenides) is mainly responsible for determining these properties. The effect of surface conditions on the values of n_eff and ?∞ have been evaluated for GaTe. Using derived values of n_eff and ?_∞ the value of Penn gap have been determined. The Penn gap thus obtained is shown to be in agreement with the reflectivity data. In the passing we also show that essentially the Varshni formula explains fairly well the temperature dependence of the energy gap for gallium chalcogenides and the constants involved are evaluated.