Coexistence of CDW phase and SDW phase

The coexistence of charge density wave (CDW) and spin density wave (SDW) phases is studied by introducing a singlet coupling in the Rice model as well as the Shibatani-Motizuki-Nagamiya (SMN) model. The conditions of the coexistence, and the other parameters are derived for T = 0 K. It is found that the coexistent phase is unrealizable in pure chromium.     

Spin density wave and ferromagnetism in a quasi-one-dimensional organic polymer

The spin density wave(SDW) — charge density wave(CDW) phase transition and the magnetic properties in a half-filled quasi-one-dimensional organic polymer are investigated by the world line Monte Carlo simulations. The itinerant π electrons moving along the polymer chain are coupled radically to localized unpaired d electrons, which are situated at every other site of the polymer chain. The results show that both ferromagnetic and anti-ferromagnetic radical couplings enhance the SDW phase and the ferromagnet order of the radical spins, but suppress the CDW phase. By finite size scaling, we are able to obtain the phase transition line in the parameter space. The ferromagnetic order of the radical spins are observed to coexist with the SDW phase. As compared to the system being free of the radical coupling, the phase transition line is shifted upward in the U-V parameter space in favor of larger V, where U is the on-site repulsion and V is the nearest-neighbor interaction between the π electrons. All of these findings can be understood qualitatively by a second-order perturbation theory starting from the classical state at zero temperature in the strong coupling limit. We also address the consequences of the radical coupling for the persistent current if the polymer chain is fabricated as a mesoscopic ring.     

Electron-phonon coupling and longitudinal sound velocity of La0.5Ca0.5MnO3

In this paper, the microscopic theory of the relative change in velocity of sound with temperature of La_0.5Ca_0.5MnO₃ is reported. The phonon Green function is calculated using the Green function technique of Zubarev in the limit of zero wave vector and low temperature. The lattice model electronic Hamiltonian in the presence of the phonon interaction with hybridization between the conduction electrons and the l-electrons is used. The relative change in velocity of sound at various temperatures is studied for different model parameters, namely the position of the l-level, the effective phonon coupling strength and hybridization strength. The phonon anomalies observed experimentally at different temperatures are explained theoretically. An abrupt change in velocity at Neel temperature (T_N) is observed clearly. It is observed that different parameters influence the velocity of sound.     

Sound velocity in La0.5Ca0.5MnO3

In this Letter the microscopic theory of the relative change in velocity of sound with temperature of La_0.5Ca_0.5MnO₃ is reported. The phonon Green function is calculated using the Green function technique of Zubarev in the limit of zero wave vector and low temperature. The lattice model electronic Hamiltonian in the presence of the phonon interaction with hybridization between the conduction electrons and the l-electrons is used. The relative change in velocity of sound at various temperatures is studied for different model parameters namely the position of the l-level, the effective phonon coupling strength and hybridization strength. The phonon anomalies observed experimentally at different temperatures are explained theoretically. An abrupt change in velocity at Neel temperature (TN) is observed clearly. It is observed that different parameters influence the velocity of sound.     

Dephasing of Andreev pairs entering a charge density wave

A Cooper pair from a s-wave superconductor (S) entering a conventional charge density wave (CDW) below the Peierls gap dephases on the Fermi wavelength while one particle states are localized on the CDW coherence length ξ_CDW. It is thus practically impossible to observe a Josephson current through a CDW. The paths following different sequences of impurities interfere destructively, due to the different electron and hole densities in the CDW. The same conclusion holds for averaging over the conduction channels in the ballistic system. We apply two microscopic approaches to this phenomenon: (i) a Blonder, Tinkham, Klapwijk (BTK) approach for a single highly transparent S-CDW interface; and (ii) the Hamiltonian approach for the Josephson effect in a clean CDW and a CDW with non magnetic disorder. The Josephson effect through a spin density wave (SDW) is limited by the coherence length ξ_SDW, not by the Fermi wave-length. A Josephson current through a SDW might be observed in a structure with contacts on a SDW separated by a distance ξ_SDW.     

Temperature-dependent Brillouin scattering studies of surface acoustic modes in Nd0.5Sr0.5MnO3

Brillouin scattering experiments are carried out to study the surface acoustic waves in Nd_0.5Sr_0.5MnO₃ as a function of temperature in the range of 40-300 K covering the metal-insulator and charge-ordering phase transitions. The surface modes include surface Rayleigh wave, pseudo-surface acoustic wave (PSAW) and high velocity PSAW. The observed softening of the sound velocities for the surface modes below paramagnetic to ferromagnetic transition, T_c is related to the softening of the C₄₄ elastic constant. The subsequent hardening of the sound velocity below the charge ordering transition temperature T_co is attributed to the coupling of the acoustic phonon to the charge ordered state via long range ordering of the strong Jahn-Teller (JT) distortion.     

Microscopic theory on the Raman spectra of transition metal dichalcogenides in CDW state

Microscopic mechanisms are clarified for Raman scattering of collective modes, i.e., amplitude and phase modes in the charge density wave (CDW) state of transition metal dichalcogenides. We study three phonon process in triple CDW state and effects of $\text{partial}$ destruction of the Fermi surface due to the phase transition. It has then been understood how both phase and amplitude modes are given Raman activity and how A-E splittings of both modes and the commensurability pinning of the phase mode are related to the three phonon process. We can also explain change of Raman intensity of the originally Raman active A_1g phonon mode at phase transition as interference between paramagnetic and diamagnetic contributions for 2HTaSe₂ as well as other materials.     

Spin- and charge-density-wave orders in La1.87Sr0.13Cu0.99Fe0.01O4

We have performed elastic neutron-scattering measurements on La_1.87Sr_0.13Cu_0.99Fe_0.01O₄ to study the magnetic impurity effects on the stripe correlations in high-T_c cuprates. Both charge-density-wave (CDW) and spin-density-wave (SDW) orders are observed in the low-temperature-orthorhombic (LTO) phase for the first time. With decreasing the temperature, CDW order first appears at followed by the SDW order at lower temperature of . The incommensurability for the CDW order (ε) was found to be 0.224±0.002 r.l.u., which is approximately twice of that for SDW order (δ) of 0.115±0.003 r.l.u. Both ordering sequence and relation of ε≈2δ are the same for SDW and CDW orders observed in the low-temperature-tetragonal (LTT) phase of La_1.60-xNd_0.4Sr_xCuO₄ (LNSCO), suggesting that the similar stripe correlations exist in the cuprate oxides, irrespective of crystal structure.     

Sm atomic dynamics in a charge density wave compound SmNiC2

¹⁴⁹Sm nuclear resonant inelastic scattering was carried out in a charge density wave compound SmNiC₂. We have investigated temperature dependences of the Sm partial phonon density of states and recoil-free fraction at the Sm site and the average sound velocity estimated from the Sm partial density of states. The Sm partial density of states exhibits temperature dependence, suggesting that the phonon modes between 20 and 25 meV may correlate with the charge density wave. Temperature dependence of the recoil-free fraction is difficult to prove the correlation with either the charge density wave or ferromagnetic ordering. The average sound velocity obtained by the Sm partial phonon density of states exhibits temperature dependence, agreeing qualitatively with very recent elastic constant measurements.     

Effect of charge density waves on the tunnel spectra of the Bi2Sr2CaCu2O8+δ superconductor

The differential tunnel conductance G _S of the junction between a normal metal and a superconductor with a charge density wave (CDW) is calculated as a function of the voltage V across the junction. The results are averaged over the spread of superconducting and CDW energy gaps in the nanoscale-inhomogeneous superconductor. It is shown that, if both order parameters are nonzero, a dip-hump structure is formed beyond the superconducting gap of G _S (V). If the phase of the CDW order parameter is not equal to π/2, a dip-hump structure will appear solely or mainly for one sign of the bias polarity. The results agree with the experimental data for Bi₂Sr₂CaCu₂O_8+δ and other high-temperature oxides     

Raman study of charge-density-wave phase transition in quasi-one-dimensional conductor (TaSe4)2I

Polarized Raman spectra were obtained in the quasi-one-dimensional conductor (TaSe₄)₂I above and below the charge-density-wave (CDW) transition temperature (T_c=263 K). The Raman intensities of many peaks become intenser and two of the phonon peaks shift to higher frequency with decreasing temperature. Moreover a new broad peak at about 90 cm^?1 and a new peak around 166 cm^?1 appear in the low-temperature phase. The polarization characteristic shows that the former is assigned to totally symmetric mode. The damping constant of the phonon at 90 cm^?1 increases markedly with increasing temperature. The frequency shifts to higher frequency as the temperature increases and the coupling coefficient is approximately proportional to (T_c?T)^{$\text{1}\text{2}$}. This peak becomes Raman active owing to the CDW phase transition. The temperature dependence of the damping constant and the frequency shift may have a relation to the dynamical properties of the CDW phase transition.     

Electronic transport and specific heat of 1T-V Se2

The low-temperature thermoelectric power and the specific heat of 1T-V Se₂ (vanadium diselenide) have been reported along with the electrical resistivity and Hall coefficient of the compound. The charge density wave (CDW) transition is observed near 110 K in all these properties. The thermoelectric power has been measured from 15 K to 300 K, spanning the incommensurate and commensurate CDW regions. We observed a weak anomaly at the CDW transition for the first time in the specific heat of V Se₂. The linear temperature dependence of the resistivity and thermoelectric power at higher temperatures suggests a normal metallic behavior and electron–phonon scattering above the CDW transition. The positive thermoelectric power and negative Hall coefficient along with strongly temperature-dependent behavior in the CDW phase suggest a mixed conduction related to the strongly hybridized s–p–d bands in this compound.     

Collective quantum tunneling of strongly correlated electrons in commensurate mesoscopic rings

We present a new effect that is possible for strongly correlated electrons in commensurate mesoscopic rings: the collective tunneling of electrons between classically equivalent configurations, corresponding to ordered states possessing charge and spin density waves (CDW, SDW) and charge separation (CS). Within an extended Hubbard model at half filling studied by exact numerical diagonalization, we demonstrate that the ground state phase diagram comprises, besides conventional critical lines separating states characterized by different orderings (e.g. CDW, SDW, CS), critical lines separating phases with the same ordering (e.g. CDW-CDW) but with different symmetries. While the former also exist in infinite systems, the latter are specific for mesoscopic systems and directly related to a collective tunnel effect. We emphasize that, in order to construct correctly a phase diagram for mesoscopic rings, the examination of CDW, SDW and CS correlation functions alone is not sufficient, and one should also consider the symmetry of the wave function that cannot be broken. We present examples demonstrating that the jumps in relevant physical properties at the conventional and new critical lines are of comparable magnitude. These transitions could be studied experimentally e.g. by optical absorption in mesoscopic systems. Possible candidates are cyclic molecules and ring-like nanostructures of quantum dots. Received 27 November 2000     

First-principles study of martensitic phase transformation of TiRh alloy

Geometric structures and atomic positions were studied with plane wave pseudo-potential method based on density functional theory for cubic, tetragonal, and monoclinic phases of TiRh alloy. Their phonon dispersion curves were obtained with frozen phonon method at harmonic approximation using density-functional perturbation theory. Our calculations revealed that both B2 and L1₀ phases are thermodynamically unstable. Jahn-Teller effect triggers the occurrence of Bain transformation from cubic to tetragonal phase, and then soft-mode phonon further leads to the transition from tetragonal to monoclinic phase on cooling. The monoclinic phase was predicted to be P2/m space group through atomic vibrational movement along [001] direction of virtual frequency modes of L1₀ phase. The temperature from B2 to L1₀ and then to P2/m were predicted to be about T=1100.53 K and T=324.48 K through free energy calculations with the electronic plus vibrational energy of formation, respectively, which is in good agreement with experimental observations.     

Doping dependent tunneling conductance in SDW ordered copper oxide superconductors

It is observed that doping suppresses the long range anti-ferromagnetic order and induces superconducting phase for a suitable doping. In order to study this effect, we present a model study of the doping dependence of the tunneling conductance in high-T_c systems. The system is described by the Hamiltonian consisting of spin density wave (SDW) and s-wave type superconducting interaction in presence of varying impurity concentrations. The gap equations are calculated by using Green’s functions technique of Zubarev. The gap equations and the chemical potential are solved self-consistently. The imaginary part of the electron Green’s functions shows the quasi-particle density of states which represent the tunneling conductance observed by the scanning tunneling microscopy (STM). We investigate the effect of impurity on the gap equations as well as on the tunneling conductance. The results will be discussed based on the experimental observations.     

Charge density glass dynamics – Soft potentials and soft modes

An universal fingerprint of glasses has been found in low-temperature thermodynamic properties of charge/spin density wave (C/SDW) systems. Deviations from the well-known Debye, elastic continuum prediction for specific heat (flat C_p/T³ plot) appear as two anomalies; the upturn below 1 K and a broad bump at T∼10 K (named Boson peak in glasses). The first one, inherent of localized two level systems within the shalow corrugated phase space, exhibits slow relaxation with the complex dynamics. The second one, “Boson peak-like peak” was attributed to the pinned mode and incomplete softening of CDW superstructural mode. We discuss similar C_p(T) features found also in incommensurate dielectrics with well documented soft-mode anomalies.     

Puzzle of low temperature phase of α-(ET)2 salts

α-(ET)₂ salts split into two groups: one superconducting and another with mysterious low temperature phase (LTP). The LTP does not exhibit X-ray signiture of conventional CDW or magnetic one for SDW. But the magnetic phase diagram suggests strongly a kind of CDW. We have analysed the threshold electric field of unconventional CDW (UCDW) both for H=0 and H≠0. The threshold electric field for UCDW with H=0 and for 3D weak-pinning limit describes reasonably well the one determined in α-(ET)₂KHg(SCH)₄. The result for H≠0 is also presented. We propose that the LTP in α-(ET)₂ salts is most likely UCDW.     

Mixed density wave state in quasi-2D organic conductor

The density wave phase of α-$\alpha \mathrm{-}$(BEDT-TTF)₂KHg(SCN)₄ was investigated by transport properties and magnetic susceptibility. The density wave transition was observed as a broad increase at T_DW$T_{\mathrm{DW}}$=9 K by resistance measurement. Temperature dependence of the static magnetic susceptibility χ$\chi$ shows a large Curie tail below 100 K. By subtracting the Curie component, we found that the magnetic susceptibility increases like weak ferromagnetism with decreasing temperature below 7.4 K. The gradual increase of χ$\chi$ below T_DW$T_{\mathrm{DW}}$ is not expected in simple CDW or SDW, where the magnetic susceptibility decreases with decreasing temperature due to the reduction of Pauli paramagnetic component. To explain the weak ferromagnetic behavior, we consider the coexistence of CDW and SDW. We propose a model of the mixed density wave, where CDW exists with antiferromagnetically coupled canting spins.     

AC-DC coupling experiments in the spin density wave state of tetramethyltetraselenofulvalene-hexafluorophosphate [(TMTSF)2PF6]

Experiments performed on (TMTSF)₂PF₆ in the spin density wave (SDW) state in the presence of joint ac and dc excitations do not show evidence for coupling between dc and ac response. Irradiation by microwaves does not lead to strong dc nonlinearity, and attempts to resurrect the ESR signal by applied dc currents were also unsuccessful. While the strongly frequency dependent response is indicative of collective effects, the response of the SDW ground state is fundamentally different from that of a charge density wave condensate.