Quantum phase analysis of 1D superconducting quantum dot lattice using extended Bose-Hubbard model

We have obtained the quantum phase diagram of a one-dimensional superconducting quantum dot lattice using the extended Bose-Hubbard model for different commensurabilities. We describe the nature of different quantum phases at the charge degeneracy point. We find a direct phase transition from the Mott insulating phase to the superconducting phase for integer band fillings of Cooper pairs. We predict explicitly the presence of two kinds of repulsive Luttinger liquid phases, besides the charge density wave and superconducting phases for half-integer band fillings. We also predict that extended range interactions are necessary to obtain the correct phase boundary of a one-dimensional interacting Cooper system. We have used the density matrix renormalization group method and Abelian bosonization to study our system.     

Charge density transport in a novel halogened transition metal tetrachalcogenide (NbSe4)3.33I

We report the observation of non linear electrical conductivity above a sharp threshold field and of a periodic signal in the a.c. voltage for a novel linear chain compound (NbSe₄)_3.33I below a phase transition which occurs at T_c = 285 K. We conclude that this halogened metal transition tetrachalcogenide is a new compound which exhibits Peierls-Fröhlich charge density wave transport.     

Wigner crystal in snaked nanochannels: Outlook

We study properties of Wigner crystal in snaked nanochannels and show that they are characterized by a conducting sliding phase at low charge densities and an insulating pinned phase emerging above a certain critical charge density. We trace parallels between this model problem and the Little suggestion for electron transport in organic molecules. We also show that in the presence of periodic potential inside the snaked channel the sliding phase exists only inside a certain window of electron densities that has similarities with a pressure dependence of conductivity in organic conductors. Our studies show emergence of dynamical glassy phase in a purely periodic potential in the absence of any disorder that can explain enormously slow variations of resistivity in organic conductors. Finally we discuss the KAM concept of superfluidity induced by repulsive Coulomb interaction between electrons. We argue that the transition from the sliding KAM phase to the pinned Aubry phase corresponds to the superfluid-insulator transition.     

Direct observation of charge transfer in double-perovskite-like RbMn[Fe(CN)6

The charge density distribution has been determined for a transition metal cyanide, RbMn[Fe(CN)(6)], by means of the maximum entropy-Rietveld method combined with the highly angularly resolved synchrotron radiation x-ray powder diffraction at SPring-8 BL02B2. We directly observed a charge transfer from the Mn site to the Fe site in the low-temperature phase. On the basis of a local density approximation calculation, we discuss the origin for the anisotropic bonding electron distribution around the Mn3+ ion in the low-temperature phase.     

Anomalous Optical and Electronic Properties of CaTiO3 Perovskites

With the help of the first-principles full potential linearized augmented plane wave method, absorption coefficients, reflectivity, dielectric behavior and electronic properties, including electronic energy bands, density of states and charge density distributions, are studied for the tetragonal and cubic CaTiO3. By considering the thermal expansion effects, an approximate method is proposed for the study of the stability of ground state and a tendency of phase transition, based on the minimum free energy principle. Subsequently, numerical calculations are carried out by using the first-principles perturbation method. We demonstrate that the high-temperature phase is cubic. It is shown that optical spectra in tetragonal phase exhibit single-peak feature and differ from multi-peak character in cubic. We find that strong orbital hybridization results in the co-valent bonds between Ti 3d and O 2p electrons and forms two-type dipoles (Ti-O1 and Ti-O2) in tetragonal, while the Ti-O dipoles are identical in cubic. It is argued that crystal structure determines the dipole distributions and leads to some electron states among which the dipole-dipole transition forbidden is a key, causing such anomalous optical phenomena with the insulator characteristics. The predicted charge density distribution and the tendency of phase transition from tetragonal to cubic are in good agreement with experimental observations.     

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.     

Thermal stability of mode-locking steps in charge density waves

We examine the stability of mode-locking steps in incommensurate charge density waves in the presence of finite temperature. The steps turn out to be quite stable by showing a series of definite plateaus in the current-voltage characteristics. We also study the dynamical phase transition from a mode-locked state to an unlocked state by assuming the fact that there exists a similar power-law scaling hypothesis as in a pinning-depinning phase transition. The critical exponents around both the edges of the mode-locking steps are found to have similar values for the depinning transition.     

Non-fermi-liquid behavior of quasi-one-dimensional pseudogap materials

We study the spectral function of the pseudogap phase of quasi-one-dimensional charge density wave materials. Using a stochastic approach and emphasizing an exact treatment of non-Gaussian order parameter fluctuations we will go beyond a usual perturbative calculation. Our results give a good fit to angle-resolved photoemission spectroscopy data and explain the absence of the Fermi edge in charge density wave materials even above the Peierls transition, indicating non-Fermi-liquid behavior.     

Quantum charge density fluctuations and the phase transition in Ce

We have calculated the quantum quadrupolar interaction due to charge density fluctuations of localized 4f-electrons in Ce by taking into account the angular dependence, the degeneracy of the localized 4f -orbitals and the spin-orbit coupling. The calculated crystal field of 4 f electronic states is in good agreement with neutron diffraction measurements. We show that orientational ordering of quantum quadrupoles drives a phase transition at K which we assign with the transformation. In the phase the centers of mass of the Ce atoms still form a face centered cubic lattice. The theory accounts for the first order character of the transition and for the cubic lattice contraction which accompanies the transition. The transition temperature increases linearly with pressure. Our approach does not involve Kondo spin fluctuations as the significant process for the phase transition. Received 19 October 1998     

Anomalous Optical and Electronic Properties of CaTiO3 Perovskites

With the help of the first-prlnciples full potential linearized augmented plane wave method, absorption coefficients, reflect/vity, dielectric behavior and electronic properties, including electronic energy bands, density of states and charge density distributions, are studied for the tetragonal and cubic CaTiO3. By considering the thermal expansion effects, an approximate method is proposed for the study of the stability of ground state and a tendency of phase transition, based on the minimum free energy principle. Subsequently, numerical calculations are carried out by using the first-principles perturbation method. We demonstrate that the high-temperature phase is cubic. It is shown that optical spectra in tetragonal phase exhibit single-peak feature and differ from multi-peak character in cubic. We find that strong orbital hybridization results in the co-valent bonds between Ti 3d and O 2p electrons and forms two-type dipoles （Ti-Ol and Ti-02） in tetragonal, while the Ti-O dipoles are identical in cubic. It is argued that crystal structure determines the dipole distributions and leads to some electron states among which the dipole-dipole transit/on forbidden is a key, causing such anomalous optical phenomena with the insulator characteristics. The predicted charge density distribution and the tendency of phase transition from tetragonal to cubic are in good agreement with experimental observations.     

Determination of inelastic critical scattering at a first order phase transition in the CDW structure of 1TTaS2 using Mössbauer diffraction

We report Mössbauer diffraction measurements of the temperature dependence of the elastic and inelastic intensities at the (100) Bragg reflection in 1TTaS₂. These measurements use a newly developed microfoil conversion electron (MICE) spectrometry. They cover the temperature range from 19°C to 100°C, bracketing the first order 1T₁ to 1T₂ phase transition in the charge density wave structure at 79°C. The elastic Bragg peak shows a discontinuity at the phase transition as reported by Moret and Colella. The inelastic scattering shows a significant peak near the phase transition. This peak is interpreted as inelastic critical scattering at this first order phase transition.     

Luttinger liquid with asymmetric dispersion

We present an extension of the Tomonaga-Luttinger model in which left and right-moving particles have different Fermi velocities. We derive expressions for one-particle Green's functions, momentum-distributions, density of states, charge compressibility and conductivity as functions of both the velocity difference ε and the strength of the interaction β. This allows us to identify a novel restricted region in the parameter space in which the system keeps the main features of a Luttinger liquid but with an unusual behavior of the density of states and the static charge compressibility κ. In particular κ diverges on the boundary of the restricted region, indicating the occurrence of a phase transition. Received 20 May 2002 / Received in final form 23 August 2002 Published online 19 November 2002     

Topological catastrophe and isostructural phase transition in calcium

We predict a quantum phase transition in fcc Ca under hydrostatic pressure. Using density functional theory, we find, at pressures below 80 kbar, the topology of the electron charge density is characterized by nearest neighbor atoms connected through bifurcated bond paths and deep minima in the octahedral holes. At pressures above 80 kbar, the atoms bond through non-nuclear maxima that form in the octahedral holes. This topological change in the charge density softens the C' elastic modulus of fcc Ca, while C44 remains unchanged. We propose an order parameter based on applying Morse theory to the charge density, and we show that near the critical point it follows the expected mean-field scaling law with reduced pressure.     

Comparative photoemission study of Bi2(Sr,Ca)3Cu2O8+y and Bi1.7Pb0.3Sr2Ca2Cu3O10+y

The electronic structure of Bi-based 2223 single phase superconductor has been studied by ultraviolet and X-ray photoemission. By comparison with that of 2212 phase superconductor, we find a higher density of states nearE _F for 2223 phase. From analysis of the Cu 2p core-level spectroscopy, we obtain a relatively smaller charge transfer energy between copper and oxygen as well as the Coulomb repulsion energy on Cu site for 2223 phase. We relate these changes to the increase of hole concentration from 2212 to 2223 phase. The experimental results support the viewpoint that the transition temperature should be correlated with the density of states atE _F .     

Stripes and superconductivity in a one-dimensional self-consistent model

We show that many observable properties of high-temperature superconductors can be obtained in the framework of a one-dimensional self-consistent model with included superconducting correlations. Analytical solutions for spin, charge, and superconductivity order parameters are found. The ground state of the model at low hole doping is a spin-charge solitonic superstructure. Increased doping leads to a transition to the superconducting phase. There is a region of doping where superconductivity, spin density wave, and charged stripe structure coexist. The charge density modulation appears in the vicinity of vortices (kinks in the 1D model) in the superconducting state.     

Charge density wave transport in a novel inorganic chain compound, (TaSe4)2I

We report the observation of nonlinear conductivity with a well-defined threshold electric field E_T, and frequency dependent ac conductivity, in a novel linear chain compound, (TaSe₄)₂I. The material undergoes a phase transition to a semiconducting phase at T ～ 260 K, and nonlinear and frequency dependent transport is observed below this temperature. We argue that the material is a new example of collective mode transport provided by a Peierls-Fröhlich charge density wave condensate.     

Structural phase transition in FeBO under pressure

Using the density functional theory the structural and magnetic properties of iron borate under high pressure have been studied. At about P = 22.7 GPa a first order phase transition to the phase described by the same space group Rc has been found. The phase transition is accompanied by a 9% volume change of the unit cell, a four times decrease of the magnetic moment on Fe, an increase of the charge density at Fe, and a disappearance of the energy gap in the electronic density of states. Received 21 September 2001 and Received in final form 6 January 2002 Published online 6 June 2002     

电荷转移型Hubbard模型的相图

用玻色化技术和高斯波泛函变分理论研究了电荷转移型Hubbard模型.通过自旋密度波和电荷密度波的位相结构的变化，并结合其相应能隙的变化，得到以下结论：系统的Ising相变与Mott相变不重合，中间有一个SDI(spontaneouslydimerizedinsulating)的过渡相.在BI(band-insulator)相，自旋密度波与电荷密度波都具有能隙，而在MI(Mott-insulator)相，电荷密度波具有能隙，自旋密度波没有能隙. 关键词： Hubbard模型 电荷密度波 自旋密度波 相图     

Monte Carlo studies with the ST-100 array processor

Monte Carlo simulations with the 100 Mflop ST-100 array processor are described. The architecture of the array processor and its applicability to large-scale numerical simulations is discussed. Results are presented for the Abelian Higgs model, a charge density wave transition in a quasi-one-dimensional system and the finite temperature phase transition inSU(3) lattice gauge theory.     

Anisotropic property in interacting quantum wires embedded in (110) plane

We investigate the theoretically combined effect of spin-orbit interactions and Coulomb interaction on the ground state and transport property of a quantum wire oriented along different crystallographic directions in the (110) plane. We find that the electron’s ground state exhibits phase transition among spin density wave, charge density wave, singlet superconductivity and metamagnetism, which can be controlled by changing the crystallographic orientation, the strengths of the spin-orbit interactions and the Coulomb interaction. The ac conductance exhibits a significant anisotropic behavior and a out-of-plane spin polarization which can be tuned by an in-plane electric field.