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1.
2.
采用密度泛函方法(B3P86)对 Fe_2分子结构进行了优化.计算结果中未观察到自旋污染,基态波函数与高态波函数并未混杂,结果表明,Fe_2中有8个未配对电子,这些电子空间分布不同和自旋平行产生的自旋极化效应,使 Fe_2能量最低.计算结果表明,Fe_2分子的基态是~9∑_g~ ,并非~7Δ_u,进而表明 Fe_2的自旋平行效应比电子自旋配对效应要强.计算得到该分子基态的二阶、三阶和四阶力常数分别为1.4115×10~(-2)aJ/nm~2、-37.1751×10~3aJ/nm~3和 98.7596×10~4aJ/nm~4;光谱数据ω_eχ_e、B_e、α_e分别为0.3522、0.0345、 0.4963×10~(-4)cm~(-1);离解能为3.5522eV,平衡键长为0.2137nm,振动频率为292.914cm~(-1);并得到了 Murrel-Sorbie 函数. 相似文献
3.
4.
M. Brando N. Büttgen V. Fritsch J. Hemberger H. Kaps H.-A. Krug von Nidda M. Nicklas K. Pucher W. Trinkl A. Loidl E.W. Scheidt M. Klemm S. Horn 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,25(3):289-298
We present susceptibility, microwave resistivity, NMR and heat-capacity results for Li1-xZnx(V1-yTiy)2O4 with 0 ?
x
? 0.3 and 0 ?
y
? 0.3. For all doping levels the susceptibility curves can be fitted with a Curie-Weiss law. The paramagnetic Curie-Weiss temperatures
remain negative with an average value close to that of the pure compound Θ≈ - 36 K. Spin-glass anomalies are observed in the susceptibility, heat-capacity and NMR measurements for both type of dopants.
From the temperature dependence of the spin-lattice relaxation rate we found critical-dynamic behavior in the Zn doped compounds
at the freezing temperatures. For the Ti-doped samples two successive freezing transitions into disordered low-temperature
states can be detected. The temperature dependence of the heat capacity for Zn-doped compounds does not resemble that of canonical
spin glasses and only a small fraction of the total vanadium entropy is frozen at the spin-glass transitions. For pure LiV2O4 the spin-glass transition is completely suppressed. The temperature dependence of the heat capacity for LiV2O4 can be described using a nuclear Schottky contribution and the non-Fermi liquid model, appropriate for a system close to
a spin-glass quantum critical point. Finally an (
x
/
y
,
T
)-phase diagram for the low-doping regime is presented.
Received 16 March 2001 and Received in final form 30 October 2001 相似文献
5.
Noboru Nakatani 《Optical Review》2003,10(4):206-210
This paper describes a compulsorily phase locked differential interferometer using an orthogonally polarized light source of a modulated LD with high extinction ratio to reduce non-linearity of the interferometer caused by polarization cross-talk. The current modulated LD is used as a light source to make the interferometer compact and for the scanning phase of the interferometer. The interferometer is operated compulsorily at the maximum inclination point of the fringe intensity curve by fringe scanning and an electric system. A Wollaston prism of high extinction ratio (50 dB) is used to combine the polarizing beams and to make the polarization cross-talk very small. In one light source the polarized output beams are on the same propagation axis; in the other they have a small crossing angle (2.5 mrad ∼ 10 mrad) to completely exclude non-linearity of the interferometer causded by polarization cross-talk. Using jets of a gas mixture of nitrogen and ethylene, this interferometer was demonstrated to be useful in detecting the photothermal effect of a photothermal velocimeter under phase fluctuation in a turbulent flow. 相似文献
6.
R. J. Saykally K. M. Evenson D. A. Jennings L. R. Zink A. Scalabrin 《International Journal of Infrared and Millimeter Waves》1987,8(6):653-662
Twenty new cw FIR laser lines in CD3OH, optically pumped by a CO2 laser, are reported. The frequencies of 39 of the stronger laser lines were measured relative to stabilized CO2 lasers with a fractional uncertainty, as determined by the reproducibility of the FIR frequency itself, of 2 parts in 107.Contribution of the U.S. Government, not subject to copyright. 相似文献
7.
A group representation of radiation propagation in an anisotropic medium is developed. The system of wave equations for electromagnetic potentials, obtained from the Maxwell equations with account for the constitutive equations, has been factorized. It is shown that the linear differential operator of the factorized system is orthogonal in transparent crystals and unitary in gyrotropic ones and is represented through the momentum operator. On the basis of the commutation relations for the components of this operator, the eigenvalue problem has been solved and the expression for the change in the radiant energy in the crystal in the form of spherical waves has been obtained. The dependences of the ray and phase velocities and the polarization vectors of waves on the birefringence anisotropy and gyrotropy as well as on the angular momentum, displacement current, and bound charge determining them have been analyzed. It has been established that in the general case of gyrotropic crystals where the nonreciprocity phenomenon takes place and in magnetoelectrics Maxwell equations are represented in a form similar to the Dirac equations and the electromagnetic radiation is correctly described by means of bispinors and is quantized as fermions. 相似文献
8.
Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively. 相似文献
9.
Frank Jochmann 《Journal of Differential Equations》2004,203(2):232-254
In this paper, Maxwell's equations involving generally nonlinear polarization and field-dependent currents are studied. The main objective is the asymptotic behavior of the solution for t→∞ if no damping term occurs in the equation governing the polarization field. 相似文献
10.
A brief account of applications of polarized inelastic neutron scattering in condensed matter research is given. We show that
full polarization analysis is the only tool allowing to discriminate unambiguously between different magnetic modes in various
magnetic materials. We show by means of recent results in the Heisenberg ferromagnet EuS that the effects of dipolar interactions
can be studied on a microscopic scale. Moreover, we have found for the first time indications for the divergence of the longitudinal
fluctuations belowT
c. In the itinerant antiferromagnet chromium we demonstrate that the dynamics of the longitudinal and transverse excitations
are very different, resolving a long standing puzzle concerning the slope of their dispersion. Finally, we show that a measurement
of the polarization-dependent part of the cross section of non-centrosymmetric MnSi proves directly that the chirality of
the magnetic fluctuations is left-handed. 相似文献