Theory of optical conductivity and photoemission intensity for Cu---O plane superconductors

The quasiparticle self-energy and the dynamic spin and charge susceptibilities are calculated self-consistently in RPA for the two-dimensional Hubbard model with additional electron-phonon interaction. Vertex corrections lead to an enhancement of charge fluctuations and a suppression of spin fluctuations, thus increasing T_c. The resulting optical reflectivity in the normal and superconducting state is found to be in qualitative agreement with the experiment data on YBa₂Cu₃O₇ for intermediate values of λ_ph and U/t. We calculate also the photoemission intensity in the normal and superconducting state.     

Magnetic anisotropy and superconductivity in a model for high-Tc copper oxides

The phase diagram for the CuO₂-based superconductors is found to be consistent with an extended Hubbard Hamiltonian with competing positive-and negative-U interactions on a 2D lattice where sites are plaquettes formed by clusters of Cu and O atoms. The negative-U effective interactions are implied by the XY anisotropy in the Cu-Cu spin couplings and local hole pairing corresponds to vortex-antivortex spin configurations. The phase progression observed with the variation of dopant fraction x can be obtained via gradual implementation of canonical transformation that maps the properties of the positive-U Hubbard model at half-filling into those of the negative-U model away from half-filling. In the strong-coupling limit this process is described in terms of percolation-driven dilute magnetism for both spins (U>0) and pseudospins (U−1_x=ξ⁻¹_o+η⁻¹_x for x→O as seen in La_2-xSr_xCuO₄. (ii) An x-dependent reduction of spin fluctuations at low temperatures that conforms with NMR studies of La_2-xSr_xCuO₄. And, (iii) a reduced superconducting transition locus T_c(x)/T_cmax in agreement with the universal shape and location revealed by analysis of experimental data.     

Charge gaps and quasiparticle bands of the ionic Hubbard model

The ionic Hubbard model on a cubic lattice is investigated using analytical approximations, the DMFT and Wilsons renormalization group for the charge excitation spectrum. Near the Mott insulating regime, where the Hubbard repulsion starts to dominate all energies, the formation of correlated bands is described. The corresponding partial spectral weights and local densities of states show the characteristic features, of a hybridized-band structure as appropriate for the regime at small U, which at half-filling is known as a band insulator. In particular, a narrow charge gap is obtained at half-filling, and the distribution of spectral quasi-particle weight reflects the fundamental hybridization mechanism of the model.     

Quasiparticle anisotropy and pseudogap formation from the weak-coupling renormalization group point of view

Using the one-loop functional renormalization group technique, we evaluate the self-energy in the weak-coupling regime of the 2D t-t(') Hubbard model. At van Hove (vH) band fillings and at low temperatures, the quasiparticle weight along the Fermi surface (FS) continuously vanishes on approaching the (pi,0) point where the quasiparticle concept is invalid. Away from vH band fillings the quasiparticle peak is formed inside an anisotropic pseudogap and the self-energy has the conventional Fermi-liquid characteristics near the Fermi level. The spectral weight of the quasiparticle features is reduced on parts of the FS between the near vicinity of hot spots and the FS points closest to (pi,0) and (0,pi).     

Resonance state in the 2D attractive Hubbard model

The systematic change of a resonance state with high momenta is studied with increasing particle density in the 2D attractive Hubbard model. Within the conserving self-consistent T-matrix approximation, we present the spectral functions for the one and two particle Green's functions as well as the self-energy. In the small density limit, the resonant state becomes stable and the result from the self-consistent calculations shows a good agreement with that from a simple analytical calculation. As particle density is increased, the resonance state acquires a short lifetime due to the increasing decay into two free particles.     

Effective transfer for singlets formed by hole doping in the high-Tc superconductors

By comparing the exact results of an extended multiband Hubbard Hamiltonian for Cu₂O₇ and Cu₂O₈ clusters to those obtained from an effective single band Hamiltonian, we show that the low energy scale physics is very well described by a t-t′-J model which describes the motion of singlets in an antiferromagnetic background of spins. We obtain values for t, t′ and J for both hole and electron doping and show that these are different. We also study the dispersion relations and density of states within the quasi particle approximation both of which show rather interesting characteristics which could be relevant for high T_c superconductors.     

Eliashberg analysis of tunneling experiments: support for the pairing glue hypothesis in cuprate superconductors

Evidence for the validity of the pairing glue interpretation of high temperature superconductivity is presented using a modified Eliashberg analysis of experimental superconductor-insulator-superconductor (SIS) tunneling data in B2Sr2CaCu2O8 (Bi2212) over a wide range of doping. This is accomplished by extracting detailed information on the diagonal and anomalous contributions to the quasiparticle self-energy. In particular, a comparison of the imaginary part of the anomalous self-energy ImΦ(ω) and the pairing glue spectral function α2F(ω) used in the model is consistent with Hubbard model simulations in the literature. In addition, the real part of the diagonal self-energy for optimal doped Bi2212 bears a strong resemblance to that obtained from photoemission experiments.     

Fourth-order perturbation theory for the half-filled Hubbard model in infinite dimensions

We calculate the zero-temperature self-energy to fourth-order perturbation theory in the Hubbard interaction U for the half-filled Hubbard model in infinite dimensions. For the Bethe lattice with bare bandwidth W, we compare our perturbative results for the self-energy, the single-particle density of states, and the momentum distribution to those from approximate analytical and numerical studies of the model. Results for the density of states from perturbation theory at U/W = 0.4 agree very well with those from the Dynamical Mean-Field Theory treated with the Fixed-Energy Exact Diagonalization and with the Dynamical Density-Matrix Renormalization Group. In contrast, our results reveal the limited resolution of the Numerical Renormalization Group approach in treating the Hubbard bands. The momentum distributions from all approximate studies of the model are very similar in the regime where perturbation theory is applicable, . Iterated Perturbation Theory overestimates the quasiparticle weight above such moderate interaction strengths.Received: 9 September 2003, Published online: 30 January 2004PACS: 71.10.Fd Lattice fermion models (Hubbard model, etc.) - 71.27. + a Strongly correlated electron systems; heavy fermions - 71.30. + h Metal-insulator transitions and other electronic transitions     

Non-perturbative approaches to magnetism in strongly correlated electron systems

The microscopic basis for the stability of itinerant ferromagnetism in correlated electron systems is examined. To this end several routes to ferromagnetism are explored, using both rigorous methods valid in arbitrary spatial dimensions, as well as Quantum Monte Carlo investigations in the limit of infinite dimensions (dynamical mean-field theory). In particular we discuss the qualitative and quantitative importance of (i) the direct Heisenberg exchange coupling, (ii) band degeneracy plus Hund's rule coupling, and (iii) a high spectral density near the band edges caused by an appropriate lattice structure and/or kinetic energy of the electrons. We furnish evidence of the stability of itinerant ferromagnetism in the pure Hubbard model for appropriate lattices at electronic densities not too close to half-filling and large enough U. Already a weak direct exchange interaction, as well as band degeneracy, is found to reduce the critical value of U above which ferromagnetism becomes stable considerably. Using similar numerical techniques the Hubbard model with an easy axis is studied to explain metamagnetism in strongly anisotropic antiferromagnets from a unifying microscopic point of view.     

Temperature dependence of intensities and widths of N2-broadened lines in the 15 μm CO2 band from tunable laser measurements

Intensities and nitrogen-broadened widths of several low-J lines in the Q-branch of the 15 μm band of CO₂ have been determined over the temperature range 200–300 K. Measurements were made with a tunable infra-red diode laser spectrometer having a spectral resolution 10^-4 cm^-1. Measured intensities are uniformly about 7% lower than available calculations which were based on previous measurements of band intensity. Measured line widths are higher than available calculations and generally followed the relation

b_L⁰(T)=b_L⁰(T₀)(T₀|T)ⁿ

with n = 0.74 (standard deviation 0.08).     

氢化非晶硅薄膜晶体管的低频噪声特性

针对氢化非晶硅薄膜晶体管(hydrogenated amorphous silicon thin film transistor,a-Si:H TFT)的低频噪声特性展开实验研究.由测量结果可知,a-Si:H TFT的低频噪声特性遵循1/f~γ(f为频率,γ≈0.92)的变化规律,主要受迁移率随机涨落效应的影响.基于与迁移率涨落相关的载流子数随机涨落模型(?N-?μ模型),在考虑源漏接触电阻、局域态俘获及释放载流子效应等情况时,对器件低频噪声特性随沟道电流的变化进行分析与拟合.基于a-Si:H TFT的亚阈区电流-电压特性提取器件表面能带弯曲量与栅源电压之间的关系,通过沟道电流噪声功率谱密度提取a-Si:H TFT有源层内局域态密度及其分布.实验结果表明:局域态在禁带内随能量呈e指数变化,两种缺陷态在导带底密度分别约为6.31×10~(18)和1.26×10~(18)cm~(-3)·eV~(-1),特征温度分别约为192和290 K,这符合非晶硅层内带尾态密度及其分布特征.最后提取器件的平均Hooge因子,为评价非晶硅材料及其稳定性提供参考.     

二氧化铀电子结构和弹性性质的第一性原理研究

本文采用第一性原理的方法系统研究了UO₂的晶体结构、电子结构和弹性性质. 在计算中采用广义梯度近似结合Hubbard U项描述电子的局域强关联效应. 首先通过计算能带带隙大小并与理论值比较的方法, 得到了合理的有效库仑相关作用能(U_eff)的取值, 同时通过态密度的计算, 进一步验证了U_eff取值的合理性. 计算得到UO₂中U原子的U_eff值为3.30 eV (U_eff=U-J, U=3.70 eV, J=0.40 eV). 应用此参数计算得到的UO₂晶格常数为5.54 Å, 带隙宽度为2.17 eV. 该结果优于目前现有的研究结果, 同时在同样的U_eff值条件下计算所得到的弹性常数与实验值也符合得较好. 相较于之前的基于实验测量并分析得到的U_eff值, 我们所采用的方法在对UO₂性质描述上更为准确. 不同的有效库仑相关作用能取值下的态密度结果表明, 有效库仑相关作用能的大小可以影响铀原子5f电子轨道的分布.     

Temperature reversibility of the remanent magnetization in powders of Y---Ba---Cu---O

The temperature dependence of the remanent magnetization M_R has been studied in YBa₂Cu₃O_6.9 powders cooled in a magnetic field. When the samples are heated up and cooled down again, M_R(T) is found to exhibit a reversible part when the density of vortices is initially low. For particle size comparable with the London penetration depth λ the reversible part of M_R(T) can be well described by λ(T).     

Correlation of Tc with structure in the density of states in the new high-Tc superconductors

The variation of T_c with hole concentration in the new copper oxide superconductors can readily be understood in terms of a peak in the density of states associated with the CuO₂ planes. The data are consistent with either simple phonon-mediated pairing or an indirect excitonic pairing. Effects due to interlayer coupling are considered. The sharp decrease of T_c near half-filling is probable due to strong spin fluctuations.     

Diamagnetic impurity effects on the Néel temperature in La2CuO4 and related materials

To investigate why the sensitivity of the Néel temperature T_N of the antiferromagnetic (AF) layered copper perovskites (typically La₂CuO₄) to diamagnetic impurities such as Zn is reportedly much larger than in the AF members of the K₂NiF₄ family, we first treat the effect of a concentration c of impurities on the uncorrelated electronic states in the coherent potential approximation (CPA). Then we consider the Heisenberg hamiltonian as the large correlation limit of the Hubbard hamiltonian for a single band of impurity-modified electronic states. The correlation effects are treated variationally. The model is solved explicity by using a rectangular density of states, and we obtain the c-dependent exchange J, staggered moment S_q, spin wave velocity and transverse susceptibility at zero temperature. We take into consideration several recently proposed formulae for T_N in the clean limit, and include the impurity effects by exploiting the results obtained, in order to test their predictions against the experimental T_N(c) data for La₂Cu_1−cZn_cO₄. Our results suggest that, to explain the difference between the K₂NiF₄ and the La₂ CuO₄ families, one should consider both the sign and the magnitude of the difference I≡ε^B−ε^A between impurity (B) and host (A) ionic potentials. The slowly decreasing trend of T_N(c) in the K₂NiF₄ family is reproduced if I is negative and sizeable, or positive but very small, while the quick decrease typical of the copper perovskites requires a positive and rather large I. For reasonable values of the interaction parameters, among the several models we compare, only the model of Chakravarty, Halperin and Nelson is able to semi-quantitatively reproduce the non-linear behaviour of T_N(c) reported for La₂Cu_1−cZn_cO₄, provided the spin stiffness is assumed to scale with c as appropriate to Fermi liquids.     

Evidence for itineracy in the anticipated Kondo insulator FeSi: a quantitative determination of the band renormalization

A comparison of high-resolution, angle-resolved photoemission spectroscopy (ARPES) data with ab initio band-structure calculations by density functional theory for the anticipated Kondo insulator FeSi shows that the experimental dispersions can quantitatively be described by an itinerant behavior provided that an appropriate self-energy correction is included, whose real part describes the band renormalization due to interactions of the Fe 3d electrons. The imaginary part of the self-energy, on the other hand, determines the linewidth of the quasiparticle peaks in the ARPES data. We use a model self-energy which consistently describes both the renormalized single-particle dispersion and the energy-dependent linewidth of the Fe 3d bands. These results are clear evidence that FeSi is an itinerant semiconductor whose properties can be explained without a local Kondo-like interaction.     

The effect of Magic Angle Spinning on proton spin–lattice relaxation times in some organic solids

Proton spectra of solids are usually broadened by strong proton homonuclear dipolar interactions. However, substantial line narrowing may be achieved by Magic Angle Spinning (MAS) in systems of low proton density or in systems in which rapid molecular motions occur. In such conditions, T₁(H) measurements are often used to characterise the dynamics of each resolved proton site. We show that T₁(H) values measured for solid organic compounds with high proton abundance, such as adamantane and glycine, may be strongly dependent on the spinning rate employed, so that care is required when values are compared. The effects of molecular motion and proton density on T₁(H) and its dependence on spinning rate were investigated. We found that an increase in molecular motion leads to an increase of T₁(H) at higher spinning rates. The opposite is found for systems with low proton densities which show relatively lower T₁(H), at higher spinning rates. A possible interpretation is suggested in terms of the reduced spin diffusion efficiency at higher spinning rates.     

Simulations of the effects of density and temperature profile on SMBI penetration depth based on the HL-2A tokamak configuration

Using the trans-neut module of the BOUT++ code, we study how the fueling penetration depth of supersonic molecular beam injection(SMBI) is affected by plasma density and temperature profiles. The plasma densities and temperatures in L-mode are initialized to be a set of linear profiles with different core plasma densities and temperatures. The plasma profiles are relaxed to a set of steady states with different core plasma densities or temperatures. For a fixed gradient, the steady profiles are characterized by the core plasma density and temperature. The SMBI is investigated based on the final steady profiles with different core plasma densities or temperatures. The simulated results suggest that the SMB injection will be blocked by dense core plasma and high-temperature plasma. Once the core plasma density is set to be N_(i0)= 1.4N_0(N_0= 1 × 10~(19)m~(-3)) it produces a deeper penetration depth. When N_(i0) is increased from 1.4N_0 to 3.9N_0 at intervals of 0.8N_0, keeping a constant core temperature of T_(e0)= 725 eV at the radial position of ψ = 0.65, the penetration depth gradually decreases. Meanwhile, when the density is fixed at N_(i0)= 1.4N_0 and the core plasma temperature T_(e0) is set to 365 eV,the penetration depth increases. The penetration depth decreases as T_(e0) is increased from 365 eV to 2759 eV. Sufficiently large N_(i0) or T_(e0) causes most of the injected molecules to stay in the scrape-off-layer(SOL) region, lowering the fueling efficiency.     

Renormalized quasiparticles in antiferromagnetic states of the Hubbard model

We analyze the properties of the quasiparticle excitations of metallic antiferromagnetic states in a strongly correlated electron system. The study is based on dynamical mean field theory (DMFT) for the infinite dimensional Hubbard model with antiferromagnetic symmetry breaking. Self-consistent solutions of the DMFT equations are calculated using the numerical renormalization group (NRG). The low energy behavior in these results is then analyzed in terms of renormalized quasiparticles. The parameters for these quasiparticles are calculated directly from the NRG derived self-energy, and also from the low energy fixed point of the effective impurity model. From these the quasiparticle weight and the effective mass are deduced. We show that the main low energy features of the k-resolved spectral density can be understood in terms of the quasiparticle picture. We also find that Luttinger's theorem is satisfied for the total electron number in the doped antiferromagnetic state.