Exchange effect on the electronic specific heat

By improving the evaluation of the contribution from the first order exchange graphs reported recently by Tsai and Isihara, the electronic specific heat of an electron gas is evaluated to ordere ². It is shown that the specific heat contains a logarithmic term.     

Exchange effect on the electronic specific heat

The evaluation of the contribution to the specific heat of an electron gas from the first order exchange graphs is reconsidered. The logarithmic temperature dependence found by Kojima and Isihara does not seem to exist.     

Fe和Co对Ni2MnGa合金(110)马氏体孪晶界面电子结构的影响

利用密度泛函理论研究了Fe,Co两种合金元素对Ni2MnGa合金(110)马氏体孪晶界面电子结构的影响.分别从界面能、偏聚能、磁矩、键序和电子态密度等角度对合金元素在界面处的掺杂效应进行了分析和比较.计算结果表明,在对界面的钉扎作用上,Co的界面掺杂效应较Fe的掺杂效应强;对于界面磁性的影响,Fe掺杂对界面磁结构的作用比Co掺杂显著.     

Effect of dynamic loading on the structure of amorphous alloy Fe66Ni12Si20B2

Transmission- and depth-selective-conversion-electron Mössbauer spectroscopy (DCEMS) were applied to study variation of structural state in the bulk and in the surface layer (500, 1000, 1500 Å thick) of amorphous alloy under certain optimum conditions of the dynamic loading. The alloy structure remains amorphous. However, a certain variation of the short range order. An amorphous oxide Fe₂O₃ is formed on the amorphous alloy surface.     

Hartree Fock energy and electronic specific heat

The Hartree-Fock energy and electronic specific heat are calculated numerically. The results differ from those derived with Sommerfield expansions.     

On the electronic specific heat of transition metals

A simple framework to calculate the electronic specific heat enhancement is presented and applied to the case of the electron-electron interaction in transition metals. A substantial contribution has been found in iron and niobium.     

Field-enhanced electronic specific heat of carbon nanotubes

The tight-binding model including curvature effects is used to study the effect of transverse electric field on the low-temperature electronic specific heat (C_v) for armchair and zigzag carbon nanotubes (ACNTs and ZCNTs). Electric field could effectively modulate energy dispersions of CNTs and cause a shift of electronic states toward the Fermi energy. As field strength reaches to a critical value (F_c), it induces special structures in the density of states near the Fermi energy and thus the giant specific heat. At F_cs, C_v has a value comparable to that of the phonon specific heat and reveals strongly non-linear dependence on temperature. The critical field strength and giant specific heat are closely related to nanotube's geometry. Moreover, under F_cs, the extra longitudinal magnetic flux could cause a re-enhancement in C_v for ZCNTs, whereas C_v is always diminished for ACNTs.     

Complex singularities in the specific heat of the SU(2) lattice gauge model

A recent Monte Carlo simulation showing a sharp peak versus β in the specific heat for an SU(2) lattice gauge theory is compared with the high temperature expansion. An interpretation based on complex β-plane singularities is proposed.     

Effect of plastic deformation by torsion on the heat capacity of the Ni50.5Ti49.5 alloy

The heat capacity of the Ni_50.5Ti_49.5 alloy in the microcrystalline and amorphous-nanocrystalline states has been measured in the range 2 K ≤ T ≤ 310 K. Changes in the electronic and lattice contributions to C _P (T) as a result of severe plastic deformation by torsion under high pressure in shape memory alloys have been discussed.     

Superconductivity and electronic specific heat in V-Mo system

The parameters of superconductivity and specific heat are determined from the low temperature specific heat measurements of V_(1−x)Mo_x (0 ⩽ x ⩽ 1) solid solutions. The coefficient of electronic specific heat γ decreases with increasing Mo concentration and shows a minimum around 80 at. %Mo. Debye temperature θ_D varies slightly over the whole composition range. The superconducting transition temperature T_c also decreases with increasing Mo concentration. The variation of T_c is explained by the variation of γ and discussed in terms of the band structure.     

Effect of magnetic doping on the electronic states of Ni

Angle-resolved photoemission is used to determine the change in the electronic states of Ni induced by doping with Fe and Cr. Well-defined spin and k states are selected using high energy and k resolution combined with single crystal alloys. Iron suppresses the mean free path of minority spins only, while chromium suppresses both spins and decreases the magnetic splitting. The strong variation of these effects from one impurity to the other supports the concept of magnetic doping.     

Anomalous change in the field dependence of the electronic specific heat of an electron-doped cuprate superconductor

We present specific heat measurements on Pr(2-x)CexCuO(4-delta) single crystals which show an unexpected change in the field dependence of the electronic specific heat (Cel) from linear at T = 2 K to nonlinear at T > or = 3 K. We consider several possible explanations for this change and propose, as a possible interpretation, a phase transition in the symmetry of the order parameter from nodal (e.g., d wave) at T > or = 3 K to gapped (e.g., s wave) at T = 2 K. Such a phase transition could be an explanation for the previous conflicting experimental results on the pairing symmetry in the electron-doped cuprates.     

Phonon-mediated heat dissipation in a monatomic lattice: case study on Ni

The recently introduced analytical model for the heat current autocorrelation function of a crystal with a monatomic lattice [Evteev et al., Phil. Mag. 94 (2014) p. 731 and 94 (2014) p. 3992] is employed in conjunction with the Green–Kubo formalism to investigate in detail the results of an equilibrium molecular dynamics calculations of the temperature dependence of the lattice thermal conductivity and phonon dynamics in f.c.c. Ni. Only the contribution to the lattice thermal conductivity determined by the phonon–phonon scattering processes is considered, while the contribution due to phonon–electron scattering processes is intentionally ignored. Nonetheless, during comparison of our data with experiment an estimation of the second contribution is made. Furthermore, by comparing the results obtained for f.c.c. Ni model to those for other models of elemental crystals with the f.c.c. lattice, we give an estimation of the scaling relations of the lattice thermal conductivity with other lattice properties such as the coefficient of thermal expansion and the bulk modulus. Moreover, within the framework of linear response theory and the fluctuation-dissipation theorem, we extend our analysis in this paper into the frequency domain to predict the power spectra of equilibrium fluctuations associated with the phonon-mediated heat dissipation in a monatomic lattice. The practical importance of the analytical treatment lies in the fact that it has the potential to be used in the future to efficiently decode the generic information on the lattice thermal conductivity and phonon dynamics from a power spectrum of the acoustic excitations in a monatomic crystal measured by a spectroscopic technique in the frequency range of about 1–20 THz.     

Ni13Pr3B2电子结构和磁性能第一性原理研

考虑电子自旋极化作用,本研究基于第一性原理的全电子投影缀加平面波赝势法理论,采用局域自旋密度近似LSDA,对Ni13Pr3B2金属间化合物进行结构优化,计算体系晶格常数,电子结构和磁性能。结果表明,Ni13 Pr 3B2为带隙很小的金属导体。LSDA近似下体系原子间存在复杂作用类型,Pr原子与近邻Ni、B原子以离子键作用为主,Ni原子与近邻Ni原子间表现共价作用情形。体系存在Pr -Ni铁磁耦合,总磁矩约2.80212μB,主要由Pr原子磁矩提供,自旋极化引起体系Pr-4f、Ni-3p、Pr-5p电子自旋劈裂为体系表现磁性的根本原因。     

Ni5Nd2B4的电子结构和磁性能研究

采用LSDA（Local spin-density approximation）近似及LSDA+U（在位库伦势）近似模拟金属间化合物Ni5Nd2B4的磁性能对于R-M-B合金特性的研究具有重要意义。研究结果显示,LSDA近似下,Ni5Nd2B4具备金属导体性质,晶体结构中最紧邻Ni、B原子间杂化成键,最紧邻Ni-Ni共价成键,Nd、B原子形成成键分子轨道作用,Ni原子间存在自旋消弱现象;LSDA+U近似下,Nd原子磁矩提供体系磁性来源,由于自旋排斥作用Ni原子电子与Nd原子电子自旋方向相反,体系在U值约为6.35eV的作用下能较理想的处理体系电子作用。     

Ni5Nd2B4的电子结构和磁性能研究

采用LSDA（Local spin-density approximation）近似及LSDA+U（在位库伦势）近似模拟金属间化合物Ni5Nd2B4的磁性能对于R-M-B合金特性的研究具有重要意义。研究结果显示,LSDA近似下,Ni5Nd2B4具备金属导体性质,晶体结构中最紧邻Ni、B原子间杂化成键,最紧邻Ni-Ni共价成键,Nd、B原子形成成键分子轨道作用,Ni原子间存在自旋消弱现象;LSDA+U近似下,Nd原子磁矩提供体系磁性来源,由于自旋排斥作用Ni原子电子与Nd原子电子自旋方向相反,体系在U值约为6.35eV的作用下能较理想的处理体系电子作用。