365 research outputs found
Density matrix renormalisation group for a quantum spin chain at non-zero temperature
We apply a recent adaptation of White's density matrix renormalisation group
(DMRG) method to a simple quantum spin model, the dimerised chain, in
order to assess the applicabilty of the DMRG to quantum systems at non-zero
temperature. We find that very reasonable results can be obtained for the
thermodynamic functions down to low temperatures using a very small basis set.
Low temperature results are found to be most accurate in the case when there is
a substantial energy gap.Comment: 6 pages, Standard Latex File + 7 PostScript figures available on
reques
Can Quantum Lattice Fluctuations Destroy the Peierls Broken Symmetry Ground State?
The study of bond alternation in one-dimensional electronic systems has had a
long history. Theoretical work in the 1930s predicted the absence of bond
alternation in the limit of infinitely long conjugated polymers; a result later
contradicted by experimental investigations. When this issue was re-examined in
the 1950s it was shown in the adiabatic limit that bond alternation occurs for
any value of electron-phonon coupling. The question of whether this conclusion
remains valid for quantized nuclear degrees of freedom was first addressed in
the 1980s. Since then a series of numerical calculations on models with gapped,
dispersionless phonons have suggested that bond alternation is destroyed by
quantum fluctuations below a critical value of electron-phonon coupling. In
this work we study a more realistic model with gapless, dispersive phonons. By
solving this model with the DMRG method we show that bond alternation remains
robust for any value of electron-phonon coupling
Density Matrices for a Chain of Oscillators
We consider chains with an optical phonon spectrum and study the reduced
density matrices which occur in density-matrix renormalization group (DMRG)
calculations. Both for one site and for half of the chain, these are found to
be exponentials of bosonic operators. Their spectra, which are correspondingly
exponential, are determined and discussed. The results for large systems are
obtained from the relation to a two-dimensional Gaussian model.Comment: 15 pages,8 figure
Quantum transfer matrix method for one-dimensional disordered electronic systems
We develop a novel quantum transfer matrix method to study thermodynamic
properties of one-dimensional (1D) disordered electronic systems. It is shown
that the partition function can be expressed as a product of local
transfer matrices. We demonstrate this method by applying it to the 1D
disordered Anderson model. Thermodynamic quantities of this model are
calculated and discussed.Comment: 7 pages, 10 figure
Fidelity and Quantum phase transition for the Heisenberg chain with the next-nearest-neighbor interaction
In this paper, we investigate the fidelity for the Heisenberg chain with the
next-nearest-neighbor interaction (or the model) and analyze its
connections with quantum phase transition. We compute the fidelity between the
ground states and find that the phase transition point of the model
can not be well characterized by the ground state fidelity for finite-size
systems. Instead, we introduce and calculate the fidelity between the first
excited states. Our results show that the quantum transition can be well
characterized by the fidelity of the first excited state even for a small-size
system.Comment: 4 pages, 5 figures, version published in Phys. Rev.
A density matrix renormalisation group algorithm for quantum lattice systems with a large number of states per site
A variant of White's density matrix renormalisation group scheme which is
designed to compute low-lying energies of one-dimensional quantum lattice
models with a large number of degrees of freedom per site is described. The
method is tested on two exactly solvable models---the spin-1/2
antiferromagnetic Heisenberg chain and a dimerised XY spin chain. To illustrate
the potential of the method, it is applied to a model of spins interacting with
quantum phonons. It is shown that the method accurately resolves a number of
energy gaps on periodic rings which are sufficiently large to afford an
accurate investigation of critical properties via the use of finite-size
scaling theory.Comment: RevTeX, 8 pages, 2 figure
Search of low-dimensional magnetics on the basis of structural data: spin-1/2 antiferromagnetic zigzag chain compounds In2VO5, beta-Sr(VOAsO4)2,(NH4,K)2VOF4 and alpha-ZnV3O8
A new technique for searching low-dimensional compounds on the basis of
structural data is presented. The sign and strength of all magnetic couplings
at distances up to 12 A in five predicted new antiferromagnetic zigzag spin-1/2
chain compounds In2VO5, beta-Sr(VOAsO4)2, (NH4)2VOF4, K2VOF4 and alpha-ZnV3O8
were calculated. It was stated that in the compound In2VO5 zigzag spin chains
are frustrated, since the ratio (J2/J1) of competing antiferromagnetic (AF)
nearest- (J1) and AF next-to-nearest-neighbour (J2) couplings is equal to 1.68
that exceeds the Majumdar-Ghosh point by 1/2. In other compounds the zigzag
spin chains are AF magnetically ordered single chains as value of ratios J2/J1
is close to zero. The interchain couplings were analyzed in detail.Comment: 14 pages, 6 figure, 1 table, minor change
Small-Angle X-ray and neutron scattering from diamond single crystals
Results of Small-Angle Scattering study of diamonds with various types of
point and extended defects and different degrees of annealing are presented. It
is shown that thermal annealing and/or mechanical deformation cause formation
of nanosized planar and threedimensional defects giving rise to Small-Angle
Scattering. The defects are often facetted by crystallographic planes 111, 100,
110, 311, 211 common for diamond. The scattering defects likely consist of
clusters of intrinsic and impurity-related defects; boundaries of mechanical
twins also contribute to the SAS signal. There is no clear correlation between
concentration of nitrogen impurity and intensity of the scattering.Comment: 6 pages, 5 figures; presented at SANS-YuMO User Meeting 2011, Dubna,
Russi
Orientation of rapid thermally annealed lead zirconate titanate thin films on (111) Pt substrates
The nucleation, growth, and orientation of lead zirconate titanate thin films prepared from organometallic precursor solutions by spin coating on (111) oriented platinum substrates and crystallized by rapid thermal annealing was investigated. The effects of pyrolysis temperature, post-pyrolysis thermal treatments, and excess lead addition are reported. The use of post-pyrolysis oxygen anneals at temperatures in the regime of 350-450 °C was found to strongly affect the kinetics of subsequent amorphous-pyrochlore-perovskite crystallization by rapid thermal annealing. The use of such post-pyrolysis anneals allowed films of reproducible microstructure and textures [both (100) and (111)] to be prepared by rapid thermal annealing. It is proposed that such anneals and pyrolysis temperature affect the oxygen concentration/average Pb valence in the amorphous films prior to annealing. Such changes in the Pb valence state then affect the stability of the transient pyrochlore phase and thus the kinetics of perovskite crystallizatio
Interchain interactions and magnetic properties of Li2CuO2
An effective Hamiltonian is constructed for an insulating cuprate with
edge-sharing chains Li2CuO2.The Hamiltonian contains the nearest and
next-nearest neighboring intrachain and zigzag-type interchain interactions.The
values of the interactions are obtained from the analysis of the magnetic
susceptibility, and this system is found to be described as coupled frustrated
chains.We calculate the dynamical spin correlation function S(q,\omega) by
using the exact diagonalization method, and show that the spectra of
S(q,\omega) are characterized by the zigzag-type interchain interactions. The
results of the recent inelastic neutron scattering experiment are discussed in
the light of the calculated spectra.Comment: 4 pages, 3 figures, RevTe
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