Semimetal-to-semimetal charge density wave transition in 1T-TiSe(2)

We report an infrared study on 1T-TiSe(2), the parent compound of the newly discovered superconductor Cu(x)TiSe(2). Previous studies of this compound have not conclusively resolved whether it is a semimetal or a semiconductor-information that is important in determining the origin of its unconventional charge density wave (CDW) transition. Here we present optical spectroscopy results that clearly reveal that the compound is metallic in both the high-temperature normal phase and the low-temperature CDW phase. The carrier scattering rate is dramatically different in the normal and CDW phases and the carrier density is found to change with temperature. We conclude that the observed properties can be explained within the scenario of an Overhauser-type CDW mechanism.     

Electron-hole coupling and the charge density wave transition in TiSe2

Angle-resolved photoemission is employed to measure the band structure of TiSe2 in order to clarify the nature of the ( 2 x 2 x 2) charge density wave transition. The results show a very small indirect gap in the normal phase transforming into a larger indirect gap at a different location in the Brillouin zone. Fermi surface topology is irrelevant in this case. Instead, electron-hole coupling together with a novel indirect Jahn-Teller effect drives the transition.     

Anomalous Metallic State of Cu0.07TiSe2: an optical spectroscopy study

We report an optical spectroscopy study on the newly discovered superconductor Cu0.07TiSe2. Consistent with the development from a semimetal or semiconductor with a very small indirect energy gap upon doping TiSe2, it is found that the compound has a low carrier density. Most remarkably, the study reveals a substantial shift of the screened plasma edge in reflectance towards high energy with decreasing temperature. This phenomenon, rarely seen in metals, indicates either a sizable increase of the conducting carrier concentration or/and a decrease of the effective mass of carriers with reducing temperature. We attribute the shift primarily to the latter effect.     

Charge-density wave and superconducting dome in TiSe2 from electron-phonon interaction

At low temperature TiSe2 undergoes a charge-density wave instability. Superconductivity is stabilized either by pressure or by Cu intercalation. We show that the pressure phase diagram of TiSe2 is well described by first-principles calculations. At pressures smaller than 4 GPa charge-density wave ordering occurs, in agreement with experiments. At larger pressures the disappearing of the charge-density wave is due to a stiffening of the short-range force constants and not to the variation of nesting with pressure. Finally, we show that the behavior of T(c) as a function of pressure is entirely determined by the electron-phonon interaction without need of invoking excitonic mechanisms. Our work demonstrates that phase diagrams with competing orders and a superconducting dome are also obtained in the framework of the electron-phonon interaction.     

Electron-phonon coupling and the soft phonon mode in TiSe2

We report high-resolution inelastic x-ray measurements of the soft phonon mode in the charge-density-wave compound TiSe(2). We observe a complete softening of a transverse optic phonon at the L point, i.e., q=(0.5, 0, 0.5), at T≈T(CDW). Detailed ab initio calculations for the electronic and lattice dynamical properties of TiSe(2) are in quantitative agreement with experimental frequencies for the soft phonon mode. The observed broad range of renormalized phonon frequencies, (0.3, 0, 0.5)≤q≤(0.5, 0, 0.5), is directly related to a broad peak in the electronic susceptibility stabilizing the charge-density-wave ordered state. Our analysis demonstrates that a conventional electron-phonon coupling mechanism can explain a structural instability and the charge-density-wave order in TiSe(2) although other mechanisms might further boost the transition temperature.     

Preformed excitonic liquid route to a charge density wave in 2H-TaSe2

Recent experiments on 2H-TaSe(2) contradict the long-held view of the charge density wave arising from a nested band structure. An intrinsically strong coupling view, involving a charge density wave state arising as a Bose condensation of preformed excitons emerges as an attractive, albeit scantily investigated alternative. Using the local density approximation plus multiorbital dynamic mean field theory, we show that this scenario agrees with a variety of normal state data for 2H-TaSe(2). Based thereupon, the ordered states in a subset of dichalcogenides should be viewed as instabilities of a correlated, preformed excitonic liquid.     

Phonon modes at the 2H-NbSe2 surface observed by grazing incidence inelastic x-ray scattering

We have determined the dispersion of acoustic and optical surface phonon modes 2H-NbSe2 at the by inelastic x-ray scattering under grazing incidence conditions. Already, at room temperature, an anomaly is observed close to the charge density wave -vector position located at about one-third along the Gamma-M direction of the Brillouin zone. Our results indicate that the anomaly for the surface mode occurs at a lower energy than that measured in bulk sensitive geometry in the same experiment, showing evidence of a modified behavior in the uppermost layers. We demonstrate that inelastic x-ray scattering in grazing incidence conditions provides a unique tool to selectively study either surface or bulk lattice dynamics in a single experiment.     

Atom-molecule coherence in a one-dimensional system

We study a model of one-dimensional fermionic atoms with a narrow Feshbach resonance that allows them to bind in pairs to form bosonic molecules. We show that at low energy, a coherence develops between the molecule and fermion Luttinger liquids. At the same time, a gap opens in the spin excitation spectrum. The coherence implies that the order parameters for the molecular Bose-Einstein condensation and the atomic BCS pairing become identical. Moreover, both bosonic and fermionic charge density wave correlations decay exponentially, in contrast with a usual Luttinger liquid. We exhibit a Luther-Emery point where the systems can be described in terms of noninteracting pseudofermions. At this point we discuss the threshold behavior of density-density response functions.     

Structural evidence of charge renormalization in semi-dilute solutions of highly charged polyelectrolytes

We show experimentally that Manning counterion condensation also leads to a renormalization of the charge density at high concentrations of highly charged, flexible, hydrophilic polyelectrolytes. Investigations by small angle neutron and X-ray scattering of semi-dilute solutions of poly(acrylamide-co-sodium-2-acrylamido-2-methylpropane sulfonate) at different charge densities above the condensation threshold, show that the scattering function is invariant with the charge density. Received 16 June 1998     

Theory of H bonding and vibration on Pt(111)

Linearized augmented plane wave (LAPW) calculations of the structural energies of a H monolayer absorbed on a Pt(111) film predict a fcc site, a H-Pt bond length of 1.86 Å, a symmetric stretch vibration frequency of 166 meV, and an asymmetric stretch frequency of 114 meV. The symmetric stretch is predicted to be weakly dipole active, with an effective charge of 0.054e per unit cell. The results are found to be inconsistent with a nearest-neighbor spring model of the adsorbate dynamics. The site and surface charge density are compared with He diffraction results, and the vibrational frequencies are compared with electron energy loss and inelastic neutron spectra.     

Streaming instability of a dusty plasma in the presence of mass and charge variation

We study the effect of the mass and charge dynamics on the collective behaviour of a dusty plasma. It is shown that the finite non-zero streaming velocity of the dust grains leads to a novel coupling of the dust mass fluctuation with other dynamic variables of the plasma and the grains. The mass fluctuations causes a collisionless dissipation and provides an alternate channel for the beam mode instability to occur. Physically the negative energy wave associated with the beam mode couples to the mass fluctuation induced dissipative medium to produce the instability. We conclude that the higher value of the ion mass density to the dust mass density ratio reduces the threshold value for the onset of the instability. Its application in the astrophysical context is discussed.     

Infrared conductivity from spin and charge density waves: (TMTSF) 2X

Infrared conductivity from an incommensurate spin density wave occurs due to even-order charge density wave harmonics which interact with the host lattice. Phonon states within the density-wave-induced energy gap for single-particle excitations lead to conductivity much different from that of an incommensurate charge density wave including counter-ion ordering. The conductivity expected for relaxed and quenched states of (TMTSF)₂ClO₄ is discussed.     

The high temperature superconductivity in cuprates: physics of the pseudogap region

We discuss the physics of the high temperature superconductivity in hole doped copperoxide ceramics in the pseudogap region. Starting from an effective reduced Hamiltonianrelevant to the dynamics of holes injected into the copper oxide layers proposed in aprevious paper, we determine the superconductive condensate wavefunction. We show that thelow-lying elementary condensate excitations are analogous to the rotons in superfluid⁴He. We arguethat the rotons-like excitations account for the specific heat anomaly at the criticaltemperature. We discuss and compare with experimental observations the London penetrationlength, the Abrikosov vortices, the upper and lower critical magnetic fields, and thecritical current density. We give arguments to explain the origin of the Fermi arcs andFermi pockets. We investigate the nodal gap in the cuprate superconductors and discussboth the doping and temperature dependence of the nodal gap. We suggest that the nodal gapis responsible for the doping dependence of the so-called nodal Fermi velocity detected inangle resolved photoemission spectroscopy studies. We discuss the thermodynamics of thenodal quasielectron liquid and their role in the low temperature specific heat. We proposethat the ubiquitous presence of charge density wave in hole doped cuprate superconductorsin the pseudogap region originates from instabilities of the nodal quasielectrons drivenby the interaction with the planar CuO₂ lattice. We investigate the doping dependence of thecharge density wave gap and the competition between charge order and superconductivity. Wediscuss the effects of external magnetic fields on the charge density wave gap andelucidate the interplay between charge density wave and Abrikosov vortices. Finally, weexamine the physics underlying quantum oscillations in the pseudogap region.     

Evolution of the electronic structure of 1T-Cu(x)TiSe(2)

The electronic structure of a new charge-density-wave system or superconductor, 1T-Cu(x)TiSe(2), has been studied by photoemission spectroscopy. A correlated semiconductor band structure is revealed for the undoped case, which resolves a long-standing controversy in the system. With Cu doping, the charge-density wave is suppressed by the raising of the chemical potential, while the superconductivity is enhanced by the enhancement of the density of states, and possibly suppressed at higher doping by the strong scattering.     

Pion condensation in neutron star matter: (II). Nuclear forces and stability

This paper presents several stable models of charged-pion condensed neutron star matter. The non-relativistic limit of the chirally symmetric Weinberg Lagrangian is used to describe interactions of the condensed pion field with the nucleons, as well as the pi-pi interactions of the condensed field. In the absence of nucleon-nucleon interactions, matter in this model is unstable, tending to ever-increasing baryon density and condensate wave vector. The connection of this model of condensation with the σ-model is shown.A general framework for including nuclear forces is then laid out. Results are given for a simple model in which the nuclear forces are assumed to produce an interaction energy V(ρ) dependent only on the total baryon density, independent of the degree of pion condensation, and also to produce a constant G-matrix element g in the nucleon-nucleon charge exchange channel. In the absence of condensation the equation of state reduces to that of interacting normal matter. We also consider effects of beta equilibrium and form factors in the p-wave pion-nucleon interaction. The condensed models are stable. Depending on the choice of parameters the models exhibit first- or second-order pion condensation phase transitions, or both.     

Ultrafast dynamics of a charge-transfer dimer as a model for the photoinduced phase transition of charge-transfer compounds

By applying ultrafast pump-probe spectroscopy with 15 fs temporal resolution to (TMTTF(+))(2) dimers we provide a full picture of the structural relaxation following photoexcitation of their CT transition. Both population and coherent phonon dynamics allow tracking wave packet motion onto the multidimensional excited state potential energy surface, as obtained by density functional theory calculations. We show that the vibrations that are strongly coupled to the charge-transfer transition of the dimer correspond to those driving the photoinduced phase transition occurring in charge-transfer crystalline solids.     

Phenomenology of current oscillations by sliding charge density waves

Bardeen's suggestion that the dc current associated with the sliding of a charge density wave instead of the dc electric field determines the dynamics of the phase, is formulated in a simple but self-consistent way. The resulting equation of motion for the phase reduces to that of the classical model of a rigid charge density wave far above threshold with a new, nondissipative scaling frequency. It is suggested that the harmonic content of the narrow band noise monitored as function of dc bias may decide between both interpretations. The model may also have relevance to the observation of subharmonics and chaos in charge density wave systems.     

Interplay among superconductivity,charge density waves,and magnetism in EuMo6S8

In a one-dimensional metal, the energy of the electrons can always be lowered by opening an energy gap around the Fermi energy (the Peierls instability): all occupied states are then in the lower-energy band, while the higher-energy band is empty. The opening of such a gap requires a structural distortion, resulting in the formation of a charge density wave. In a three-dimensional system, the gapping takes place in the region where the Fermi surface is nested (i.e., large parallel areas of the Fermi surface are spanned by a certain wave vector), giving rise to partial gapping of the Fermi surface, accompanied by a structural distortion. In this case, a charge density wave can coexist with superconductivity. Both charge-density-wave and superconducting transitions involve the formation of an energy gap at the Fermi energy. A charge-density-wave gap is formed at a region of the Fermi surface where there is a high density of electronic states. In such a material, there is also a strong electronphonon interaction. A region with high density of states and a high electron-phonon interaction is just the portion of the Fermi surface that will enhance the superconducting transition temperature, according to the BCS (Bardeen-Cooper-Schrieffer) theory. When a charge-density-wave gap opens up at the Fermi surface these electronic states are no longer available to form Cooper pairs and to enhance the superconducting transition temperature. The opposite is also true; if a superconducting gap opens, the states involved in forming this gap are no longer available to take part in a charge-density-wave transition. It appears that charge density waves and superconductivity compete for the same portion of the Fermi surface and thus inhibit each other. In this paper, we will review a unique situation with respect to the competition between these two ground states and will also discuss how this competition affects the anomalous behavior of critical field in EuMo6S, at high pressure.     

Soft plasmon theory of the new high-temperature superconductors

The newly-discovered high-temperature superconductors are close to, but on the metallic side of, a Mott metal — insulator transition. The incipient Mott transition manifests itself as a tendency towards a charge density wave instability, characterized by wave vectors appropriate for Fermi-surface nesting. In La₂CuO₄, this charge-density wave is commensurate with the lattice, and leads to a structural transition to a non-metallic state. We show that in the new superconducting materials, this incipient instability causes a drastic softening of the plasmon modes at these wave vectors. Indeed, there is some experimental evidence for such soft plasmons in these materials. Although these modes have a much lower frequency than ordinary plasmons, it is still much higher than the Debye-cut-off phonon frequency. They are strongly coupled to the conduction electrons, and induce an electron - electron attraction in a way analogous to phonons. Moreover, the soft-plasmon wave vectors are automatically those required for Cooper pairing, since they connect points on the Fermi surface. The Debye-energy prefactor in the BCS expression for the transition temperature is replaced by the considerably larger plasmon energy. Furthermore the strength of the interaction will ensure that the exponential factor is not too small. Note that this mechanism will lead to zero isotope effect. We suggest that the Ba or La f-orbitals play an important role in softening these plasma modes and strengthening the electron - plasmon coupling. This would explain why the presence of Ba or La seems to be favourable for high-temperature superconductivity.