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.     

Fermi surface of LaAg

Electronic structure, especially the Fermi surface, is calculated for the intermetallic rare-earth compound LaAg, known to show the structural phase transition when In is substituted for Ag, by a self-consistent fully-relativistic APW method with the exchange-correlation potential in a local-density approximation. The Fermi surface is found to consist of large hole and electron sheets as well as small hole and electron sheets. This result confirms well the theoretical prediction by Niksch et al. (1987). These Fermi surface sheets are found to explain the experimental results for the de Haas-van Alphen effect by Niksch et al. (1987) and Motoki et al. (1995) reasonably well. But, the frequency branches originating from the large hole sheet have been observed only partially. Local curvature of the large hole sheet is investigated as a possible origin of the disappearance of these frequency branches.     

Low-temperature collapse of the Fermi surface and phase transitions in correlated Fermi systems

A topological crossover, associated with the collapse of the Fermi surface in strongly correlated Fermi systems, is examined. It is demonstrated that in these systems, the temperature domain where standard Ferrai liquid results hold dramatically narrows, because the Landau regime is replaced by a classical one. The impact of the collapse of the Fermi surface on pairing correlations is analyzed. In the domain of the Lifshitz phase diagram where the Fermi surface collapses, splitting of the BCS superconducting phase transition into two different ones of the same symmetry is shown to occur.     

Surface properties of semi-infinite Fermi systems

A functional relation between the kinetic-energy density and the total density is used to analyze the surface properties of semi-infinite Fermi systems. We find an explicit expression for the surface thickness in which the role of the infinite matter compressibility, binding energy and non-locality effects is clearly shown. The method, which holds both for nuclear and electronic systems (liquid metals), yields a very simple relation between the surface thickness and the surface energy.     

Fermi arc formation by chiral spin textures in high-temperature superconductors

In angle-resolved photoemission spectroscopy pseudogap phenomenon in high-temperature superconductors is observed as Fermi arcs, or truncated Fermi surface. Here I argue that the hole induced chiral spin texture scenario naturally leads to Fermi arcs by including hole hopping processes. Disappearance of part of the Fermi surface is associated with the effect of the coherence factor. Suppressed spectral weight of the holes turns out to be an electron-like component which has weight near (π,0) only and has some charge instability.     

Calculation of the Fermi velocity in tungsten

The anisotropy of the Fermi velocity of tungsten has been calculated for different parts of the Fermi surface. The calculation was carried out by using the LMTO method in which the potential was constructed according to Mattheiss' rule with overlapping, relativistic atomic charge densities. In accordance with the experiments the results show that both magnitude and the anisotropy of the Fermi velocity are highest for the hole octahedron surface. For the other parts of the Fermi surface the value of the Fermi velocity is smaller, and it does not exceed a 50% change as a function of k.     

Fermi surface and electrical characteristics of molybdenum disilicide

Semirelativistic self-consistent calculations of the electronic structure of MoSi₂ are performed within the framework of the linearized augmented-plane-wave (APW) method in the local density functional approximation. The results of investigations of the band structure, the Fermi surface, and electrical characteristics (effective cyclotron masses, the conductivity anisotropy constant, the mean free path, and the coefficient γ of the heat capacity component linear in temperature) are reported. The Fermi surface consists of two sheets, namely, an electron sheet and a hole sheet. The extreme sectional areas of the Fermi surface agree well with the experimental data on the de Haas-van Alphen effect. The results of first-principles calculations need no additional correction.     

De Haas-Van Alphen effect and the Fermi surface of TiN

Measurements of extremal cross-sectional areas and of effective masses of the Fermi surface of TiN using the de Haas-van Alphen effect are presented for the first time. The results are compared with theoretical band structure calculations, and a model of the Fermi surface of TiN is proposed.     

Fermi surface of NaxCoO2

Doping evolution of the Fermi surface topology of Na(x)CoO(2) is studied systematically. Both local density approximation (LDA) and local spin density approximation (LSDA) predict a large Fermi surface as well as small hole pockets for doping levels x approximately 0.5. In contrast, the hole pockets are completely absent for all doping levels within LSDA+U. More importantly, we find no violation of Luttinger's rule in this system. The measured Fermi surface of Na(0.7)CoO(2) can be explained by its half-metallic behavior and agrees with our LSDA+U calculations.     

Stability of Fermi surfaces and K theory

Nonrelativistic Fermi liquids in d+1 dimensions exhibit generalized Fermi surfaces: (d-p)-dimensional submanifolds in the (k,omega)-space supporting gapless excitations. We show that the universality classes of stable Fermi surfaces are classified by K theory, with the pattern of stability determined by Bott periodicity. The Atiyah-Bott-Shapiro construction implies that the low-energy modes near a Fermi surface exhibit relativistic invariance in the transverse p+1 dimensions. This suggests an intriguing parallel between nonrelativistic Fermi liquids and D-branes of string theory.     

Instabilities of a Fermi Gas with Nested Fermi Surfaces

The nesting of the Fermi surfaces of an electron and a hole pocket separated by a vector Q commensurate with the lattice in conjunction with the interaction between the quasiparticles can give rise to a rich phase diagram. Of particular importance is itinerant antiferromagnetic order in the context of pnictides and heavy fermion compounds. By mismatching the nesting the order can gradually be suppressed and as the Néel temperature tends to zero a quantum critical point is obtained. A superconducting dome above the quantum critical point can be induced by the transfer of pairs of electrons between the pockets. The conditions under which such a dome arises are studied. In addition numerous other phases may arise, e.g. charge density waves, non‐Fermi liquid behavior, non‐s‐wave superconductivity, Pomeranchuk instabilities of the Fermi surface, nematic order, and phases with persistent orbital currents.     

Phase diagram of strongly correlated Fermi systems

Phase transitions caused by the redistribution of quasiparticle occupation numbers n(p) in homogeneous Fermi systems with particle repulsion are analyzed. The phase diagram of a strongly correlated Fermi system, when drawn in the coordinates “density ρ-dimensionless coupling constant η,” resembles a Washington pie for a rather broad class of interactions. Its upper part is “filled” with Fermi condensate, and the bottom part is filled with normal Fermi liquid. Both parts are separated by a narrow interlayer of Lifshitz phase with a multiply connected Fermi surface.     

Catastrophic Fermi surface reconstruction in the shape-memory alloy AuZn

AuZn undergoes a shape-memory transition at 67 K. The de Haas-van Alphen effect persists to 100 K enabling the observation of a change in the quantum oscillation spectrum indicative of a catastrophic Fermi surface reconstruction at the transition. The coexistence of both Fermi surfaces at low temperatures suggests an intrinsic phase separation in the bulk of the material. In addition, Dingle analysis reveals a sharp change in the scattering mechanism at a threshold cyclotron radius, attributable to the underlying microstructure driving the shape-memory effect.     

Fermi surface reconstruction in strongly correlated Fermi systems as a first-order phase transition

A quantum phase transition in strongly correlated Fermi systems beyond the topological quantum critical point has been studied using the Fermi liquid approach. The transition takes place between topologically equivalent states with three Fermi surface sheets, but one of them is characterized by a quasiparticle halo in the quasiparticle momentum distribution n(p), and the other one is characterized by a hole pocket. It has been found that the transition between these states is a first-order phase transition for the interaction constant g and temperature T. The phase diagram in the vicinity of this transition has been constructed.     

Collective coordinates in Fermi systems

The problem of developing a consistent perturbation theory for a Fermi system in the case in which the unperturbed system exhibits dynamical symmetry breaking is discussed, by using collective coordinate methods. By adapting to this problem the methods used in the quantization of gauge theories, it is shown how to deal with composite zero-frequency excitations in such a way that the resulting perturbation theory is free of infrared divergencies. Explicit calculations are carried out in the case of a simple quantum mechanical model representing a superfluid Fermi system.     

Feshbach resonance in dense ultracold Fermi gases

We propose a coherent framework allowing one to treat many-body effects in dense ultracold Fermi gases in the presence of a Feshbach resonance. We show that the simple effect of Pauli exclusion induces a strong modification of the basic scattering properties. In particular, this washes out the Feshbach resonance and provides a natural explanation for recent experimental findings.     

Recoil effect of photoelectrons in the Fermi edge of simple metals

High energy resolution photoelectron spectroscopy of conduction electrons in the vicinity of the Fermi edge in Al and Au at excitation energies of 880 and 7940 eV was carried out using synchrotron radiation. For the excitation energy of 7940 eV, the observed Fermi energy of Al shows a remarkable shift to higher binding energy as compared with that of Au, with accompanying broadening. This is due to the recoil effect of the emitted photoelectrons. The observed spectra are well reproduced by a simple model of Bloch electrons based on the isotropic Debye model.     

Fermi surface of sodium and potassium

The deviations of the Fermi surface from sphericity and the Fermi energy of Na and K are calculated using a local model-pseudopotential determined from the measured phonon dispersion curves.     

Superconductivity and lattice instability in compressed lithium from Fermi surface hot spots

The highest superconducting temperature Tc observed in any elemental metal (Li with Tc approximately 18-20 K at pressure 35-48 GPa) is shown to arise from increasingly strong electron-phonon coupling concentrated along intersections of Kohn anomaly surfaces with the evolving Fermi surface. First-principles linear response calculations of the phonon spectrum and spectral function alpha2F(omega) reveal very strong Q- and phonon-polarization dependence of coupling strength, resulting in values of in the observed range. The sharp momentum dependence of the coupling even for the simple Li Fermi surface indicates more generally that a fine Q mesh is required for precise evaluation of lamda.