Asphericity in the Fermi Surface and Fermi Energy of Na-K, Na-Rb and Na-Cs Binary Alloys

Detailed theoretical investigations into asphericity in the Fermi surface (FS) and Fermi energy (FE) ofNa1_xKx, Na1_xRbx, and Na1_xCsx binary solid solutions are carried out for the first time. The alloying behavior ofthe K, Rb, and Cs with the Na generates the Fermi surface distortion (FSD) of bce simple metals. The FS of Na-K,Na-Rb, and Na-Cs solid solution is a distorted sphere with the largest deviation along [110]. We have found that theimpact of local-field correction function on FSD is maximun at [100] point and minimum at [111] point. The exchangeand correlation effect is found to suppress the value of FE.     

铁磁半导体/d波超导结的自旋极化输运

考虑到铁磁半导体和d波超导体中空穴的有效质量和费米速度错配,运用推广了的B londer-Tinkham-K lapw ijk(BTK)理论模型,研究了铁磁半导体/d波超导隧道结的电导谱。研究表明:(1)铁磁半导体和d波超导体中空穴的有效质量和费米速度错配对系统的微分电导影响显著;(2)铁磁半导体的磁交换能对Andreev反射有抑制作用。     

拓扑绝缘基铁磁/铁磁超导隧道结的磁效应和塞曼效应(英文)

运用拓展的BTK理论研究了拓扑绝缘层上铁磁/铁磁超导隧道结的磁效应和塞曼效应,同时考虑了铁磁体和铁磁超导体之间的费米能级错配效应.研究发现:在该系统中塞曼效应和邻近效应可以共存;铁磁体和铁磁超导体之间的费米能级错配效应能够增强系统中发生在eV=Δ处的Andreev谐振散射过程和邻近效应.     

Fermi surface of the noble metals

We report calculations of extremal areas of four Fermi surface (FS) orbits of the noble metals using the linear muffin tin orbital method in the atomic sphere approximation. Our calculations indicate that thel = 3 potential parameters and increase in the number of k-points in the Brillouin zone (BZ) summation from 240 to 916 have no significant effect on the FS. All calculations were performed self-consistently including up tol = 2 potential parameters and with 240 k points in the BZ summation. Calculations were performed with the exchange, correlation potentials (XCP) of Barth-Hedin, Barth-Hedin modified by Janak, SlaterX _α, and the Vosko-Wilk-Nussair. Results compared with other theoretical calculations indicate that none of the above XC potentials give an accurate representation of the FS for all the noble metals. We feel that the inclusion of the non-locality of XCP may give a better account of the FS geometry.     

Missing xy-band Fermi surface in 4d transition-metal oxide Sr2RhO4: effect of the octahedra rotation on the electronic structure

Electronic structures of the 4d transition-metal oxide compound Sr2RhO4 are investigated by angle-resolved photoemission spectroscopy and density-functional electronic structure calculations. In the measured Fermi surfaces (FS) of Sr2RhO4, the xy-band FS sheet expected from the well-established results of the FS of Sr2RuO4 is missing, the volume of which should be different only by one additional electron for Sr2RhO4. The apparent contradiction is resolved by a careful analysis of the band structure where the rotation of octahedra results in the hybridization of e(g) and t(2g) states and thus plays a key role in the determination of the electronic structure near EF. The modification of the FS structure due to the distorted lattice is related to the charge transfer among the orbital states and suggested to be relevant to the metal-insulator transition in Ca(2-x)Sr(x)RuO4.     

Fermi surface, surface states, and surface reconstruction in Sr2RuO4

The electronic structure of Sr2RuO4 is investigated by high angular resolution ARPES at several incident photon energies. We address the controversial issues of the Fermi surface (FS) topology and the van Hove singularity at the M point, showing that a surface state and the replica of the primary FS due to sqrt[2]xsqrt[2] surface reconstruction are responsible for previous conflicting interpretations. The FS thus determined by ARPES is consistent with the de Haas-van Alphen results, and it provides additional information on the detailed shape of the alpha, beta, and gamma sheets.     

Absence of a holelike fermi surface for the iron-based K0.8F1.7Se2 superconductor revealed by angle-resolved photoemission spectroscopy

We have performed an angle-resolved photoemission spectroscopy study of the new iron-based superconductor K(0.8)Fe(1.7)Se(2) (T(c)～30 K). Clear band dispersion is observed with the overall bandwidth renormalized by a factor of 2.5 compared to our local density approximation calculations, indicating relatively strong correlation effects. Only an electronlike band crosses the Fermi energy, forming a nearly circular Fermi surface (FS) at M (π, 0). The holelike band at Γ sinks ～90 meV below the Fermi energy, with an indirect band gap of 30 meV, to the bottom of the electronlike band. The observed FS topology in this superconductor favors (π, π) inter-FS scattering between the electronlike FSs at the M points, in sharp contrast to other iron-based superconductors which favor (π, 0) inter-FS scattering between holelike and electronlike FSs.     

Studies of the Fermi surface of V3Si by 2D ACAR measurements

We report two-dimensional angular correlation of annihilation radiation (2D ACAR) measurements using positrons in single crystals of V₃Si. Anisotropic structure commensurate with the reciprocal lattice is observed and attributed to the complex Fermi surface (FS). A simple geometrical model for the FS is developed and compared with folded ACAR distributions. The results of a 3D reconstruction are compared with recent band calculations.     

Local moment, itinerancy, and deviation from Fermi-liquid behavior in NaxCoO2 for 0.71< or = x < or =0.84

Here we report the observation of Fermi surface (FS) pockets via the Shubnikov-de Haas effect in NaxCoO2 for x=0.71 and 0.84, respectively. Our observations indicate that the FS expected for each compound intersects their corresponding Brillouin zones, as defined by the previously reported superlattice structures, leading to small reconstructed FS pockets, but only if a precise number of holes per unit cell is localized. For 0.71< or = x < 0.75 the coexistence of itinerant carriers and localized S=1/2 spins on a paramagnetic triangular superlattice leads at low temperatures to the observation of a deviation from standard Fermi-liquid behavior in the electrical transport and heat capacity properties, suggesting the formation of some kind of quantum spin-liquid ground state.     

Two-dimensional and three-dimensional Fermi surfaces of superconducting BaFe2(As(1-x)P(x))2 and their nesting properties revealed by angle-resolved photoemission spectroscopy

We have studied the three-dimensional shapes of the Fermi surfaces (FSs) of BaFe(2)(As(1-x)P(x))(2) (x=0.38), where superconductivity is induced by isovalent P substitution and by angle-resolved photoemission spectroscopy. Moderately strong electron mass enhancement has been identified for both the electron and hole FSs. Among two observed hole FSs, the nearly two-dimensional one shows good nesting with the outer two-dimensional electron FS, but its orbital character is different from the outer electron FS. The three-dimensional hole FS shows poor nesting with the electron FSs. The present results suggest that the three dimensionality and the difference in the orbital character weaken FS nesting while partial nesting among the outer electron FSs of d(xy) character and/or that within the three-dimensional hole FS becomes dominant, which may lead to the nodal superconductivity.     

Indication of charge-density-wave formation in Bi(111)

Photoemission spectroscopy of Bi(111) reveals a small hexagonal two-dimensional Fermi surface (FS) associated with an electron band centered in the surface Brillouin zone. Along the hexagon the Fermi momentum k(F) ranges from 0.053 to 0.061 A(-1). Temperature dependent valence band spectra show an anisotropic energy gap Delta near the Fermi level. We find a transition temperature of about 75 K. At 11 K, the gap is Delta=4 meV at the corner and Delta=7.5 meV at the side of the hexagon. Arguments based on susceptibility chi(--> q) calculations of a hexagonal FS are used to discuss an incommensurate charge-density-wave (CDW) formation associated with a q(CDW)=0.106 A(-1).     

Electrical resistivity of alkali metals: Inflation–deflation effect of Fermi surface

The electrical resistivity of liquid alkali metals was calculated using the extended Ziman formula. The possible role of Fermi surface (FS) inflation–deflation (ID) was examined. The calculations reveal that replacing the sharp free electron FS by the expanded (respectively, contracted) one substantially improves the results. This was achieved directly by considering a FS correction factor of the Fermi radius and indirectly by a shift in the muffin-tin zero (MTZ) of the potential from its initial values. Consequently, a correlation between the shift of the MTZ of the potential and the FS factor parameter is revealed. The role of this correlation might contribute to a better understanding of the electron transport properties of other liquid metals and their alloys.     

粗糙界面对铁磁半导体/d-波超导隧道结隧道谱的影响

考虑到铁磁半导体和d-波超导体中空穴的有效质量和费米速度错配,运用推广了的Blonder-Tinkham-Klapwijk(BTK)理论模型,研究了粗糙界面散射对铁磁半导体/d-波超导(FS/DS)隧道结的隧道谱的影响.研究表明:(1)铁磁半导体和d-波超导体中空穴的有效质量和费米速度错配对系统的微分电导影响显著;(2)粗糙界面散射对Andreev反射有抑制作用.     

Non-Fermi-liquid behavior of compressible electron states on the lowest Landau level

Experiments show that at even denominator fractions (EDF) (7p = 1=2;3=4;3=2,...) the two-dimensional electron gas (2DEG) in a strong magnetic field becomes compressible, has no energy gap, and demonstrates the presence of an ostensible Fermi surface (FS). Since this phenomenon results from a minimization of the interaction, rather than the kinetic energy, the EDF states might well exhibit deviations from a conventional Fermi liquid (FL). We show that impurity scattering and its interference with electronelectron and electron-phonon interactions provide examples of intrinsically non-Fermi-liquid (NFL) transport at EDFs.     

Investigation of the electronic structure of ferro- and paramagnetic nickel by positron annihilation

Positron angular correlation curves have been measured for nickel in the [100], [110], and [111] directions at room temperature, 330°C and 380°C. Mijnarend's approach is used for their interpretation. For ferromagnetic nickel th 6th zone Fermi Surface (FS) obtained in this way is similar to that obtained from other experimental measurements as well as from band structure calculations. At 380°C the regrouping of the 5th zone electrons at the Curie point is well visible, and information is obtained about the paramagnetic nickel FS in the 6th and 5th zones. Besides, at this temperature the FS in the 6th zone is larger and rounded off. This effect, still needing further experimental confirmation, is attributed to thermal vibrations of the lattice.     

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).     

Study on the Fermi surface and the spin-dependent momentum space density of ferromagnetic Gd by positron annihilation experiments

The Fermi surface (FS) and spin-dependent momentum space density distribution of ferromagnetic Gd was studied via longitudinally polarised positrons. The measurements were performed using a 2D angular correlation of the annihilation radiation experiments with the reversal magnetic field direction parallel and anti-parallel to the polarisation direction of the positron. It was found that the minority-spin states were concentrated in the basal plane and majority-spin states were concentrated around the A, L and H points. The analysis confirmed that the main contributions to the FS of Gd were influenced by the mixing of both the 5d–6s and the 4f–5d hybrid bands. The general layout of this FS was observed as two hole-like surfaces running along the [ΓA] axis and one electron-like surface running along the [MK] direction. In general, the experimental results showed good agreement with earlier investigations.     

Quasi-two-dimensional Fermi surfaces and coherent interlayer transport in KFe₂As₂

We report the results of the angular-dependent magnetoresistance oscillations (AMROs), which can determine the shape of bulk Fermi surfaces (FSs) in quasi-two-dimensional (Q2D) systems, in a highly hole-doped Fe-based superconductor KFe2As2 with Tc ≈ 3.7 K. From the AMROs, we determined the two Q2D FSs with rounded-square cross sections, correspond to 12% and 17% of the first Brillouin zone. The rounded-squared shape of the FS cross section is also confirmed by the analyses of the interlayer transport under in-plane fields. From the obtained FS shape, we infer the character of the 3d orbitals that contribute to the FSs.     

Complete Fermi surface in BaFe2As2 observed via Shubnikov-de Haas oscillation measurements on detwinned single crystals

We show that the Fermi surface (FS) in the antiferromagnetic phase of BaFe(2)As(2) is composed of one hole and two electron pockets, all of which are three dimensional and closed, in sharp contrast to the FS observed by angle-resolved photoemission spectroscopy. Considerations on the carrier compensation and Sommerfeld coefficient rule out existence of unobserved FS pockets of significant sizes. A standard band structure calculation reasonably accounts for the observed FS, despite the overestimated ordered moment. The mass enhancement, the ratio of the effective mass to the band mass, is 2-3.     

Dominant role of the 2D Van Hove singularity on the Fermi surface and generalized susceptibility of the quasi-2D superconductor La2−xMxCuO4 (M = Sr, Ba, …)

The dominant role of the 2D van Hove saddle point singularity on the Fermi surface (FS) and generalized susceptibility, χ(q), in the quasi-2D superconductor La_2-xM_xCuO₄ is shown for varying compositions x of divalent additions M=Sr, Ba …. Dramatic topological changes in the FS with x indicate that composition can play the role of pressure in the classic work of Lifshitz. Very close correlations of large peaks in χ(q) with Fermi surface nesting features are found, along the Γ-X and Γ-N directions in the Brillouin zone, for varying x. The peak at X and N for x=0 which apparently drives, via a soft phonon mode, the transition from the bct to the orthorhombic phase is shifted to smaller q values. These results are consistent with the semiconducting behavior of La₂CuO₄ and superconductivity when stabilized with x>0 additions. Finally, orbital frequencies (areas) and masses are given which show the range required for de Haas-van Alphen or other experiments.