scholarly journals Excitonic optical spectra and energy structures in a one-dimensional Mott insulator demonstrated by applying a many-body Wannier functions method to a charge model

2021 ◽  
Vol 103 (4) ◽  
Author(s):  
T. Yamaguchi ◽  
K. Iwano ◽  
T. Miyamoto ◽  
N. Takamura ◽  
N. Kida ◽  
...  
Keyword(s):  
Mott Insulator ◽  
Optical Spectra ◽  
Many Body ◽  
Wannier Functions ◽  
One Dimensional ◽  
Charge Model ◽  
A Charge

scholarly journals Undecidability in quantum thermalization

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Naoto Shiraishi ◽  
Keiji Matsumoto
Keyword(s):  
Turing Machine ◽  
Thermal Equilibrium ◽  
General Theorem ◽  
Nearest Neighbour ◽  
Many Body ◽  
Initial State ◽  
One Dimensional ◽  
Universal Turing Machine ◽  
Many Body Systems ◽  
Neighbour Interaction

AbstractThe investigation of thermalization in isolated quantum many-body systems has a long history, dating back to the time of developing statistical mechanics. Most quantum many-body systems in nature are considered to thermalize, while some never achieve thermal equilibrium. The central problem is to clarify whether a given system thermalizes, which has been addressed previously, but not resolved. Here, we show that this problem is undecidable. The resulting undecidability even applies when the system is restricted to one-dimensional shift-invariant systems with nearest-neighbour interaction, and the initial state is a fixed product state. We construct a family of Hamiltonians encoding dynamics of a reversible universal Turing machine, where the fate of a relaxation process changes considerably depending on whether the Turing machine halts. Our result indicates that there is no general theorem, algorithm, or systematic procedure determining the presence or absence of thermalization in any given Hamiltonian.

Symmetry Violations in Partially Oxidized One-Dimensional (1D)Transition Metal Polymers. Metal-Ligand-Metal(M-L-M) Bridged Systems

1984 ◽  
Vol 39 (9) ◽  
pp. 807-829
Author(s):  
Michael C. Böhm
Keyword(s):  
Transition Metal ◽  
Density Wave ◽  
Tight Binding ◽  
Mean Field ◽  
Valence Bond ◽  
Hole State ◽  
One Dimensional ◽  
Metal Derivatives ◽  
A Charge ◽  
Metal Ligand

The band structure of the metal-ligand-metal (M-L-M) bridged quasi one-dimensional (1D) cyclopentadienylmanganese polymer, MnCp 1, has been studied in the unoxidized state and in a partly oxidized modification with one electron removed from each second MnCp fragment. The tight-binding approach is based on a semiempirical self-consistent-field (SCF) Hartree-Fock (HF) crystal orbital (CO) model of the INDO-type (intermediate neglect of differential overlap) combined with a statistical averaging procedure which has its origin in the grand canonical ensemble. The latter approximation allows for an efficient investigation of violations of the translation symmetries in the oxidized 1D material. The oxidation process in 1 is both ligand- and metal-centered (Mn 3d-2 states). The mean-field minimum corresponds to a charge density wave (CDW) solution with inequivalent Mn sites within the employed repeat-units. The symmetry adapted solution with electronically identical 3d centers is a maximum in the variational space. The coupling of this electronic instability to geometrical deformations is also analyzed. The ligand amplitudes encountered in the hole-state wave function prevent extremely large charge separations between the 3d centers which are found in ID systems without bridging moieties (e.g. Ni(CN)2-5 chain). The symmetry reduction in oxidized 1 is compared with violations of spatial symmetries in finite transition metal derivatives and simple solids. The stabilization of the valence bond-type (VB) solution is physically rationalized (i.e. left-right correlations between the 3d centers). The computational results derived for 1 are generalized to oxidized transition metal chains with band occupancies that are simple fractions of the number of stacking units and to 1D systems that deviate from this relation. The entropy-influence for temperatures T ≠ 0 is shortly discussed (stabilization of domain or cluster structures).

Pros and cons of time-dependent hybrid density functional approach to optical spectra of solids: a case study of CeO2

2021 ◽  
Author(s):  
Huai-Yang Sun ◽  
Shuo-Xue Li ◽  
Hong Jiang
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Computational Cost ◽  
Optical Spectra ◽  
First Principles Calculation ◽  
Many Body ◽  
Many Body Perturbation Theory ◽  
Pros And Cons ◽  
Hybrid Density Functional

Prediction of optical spectra of complex solids remains a great challenge for first-principles calculation due to the huge computational cost of the state-of-the-art many-body perturbation theory based GW-Bethe Salpeter equation...

Synthesis, Structure and Magnetic Properties of Monoclinic Nb12O29

2000 ◽  
Vol 658 ◽  
Author(s):  
J. E. L. Waldron ◽  
M. A. Green
Keyword(s):  
Magnetic Properties ◽  
Magnetic Order ◽  
Bulk Sample ◽  
Charge Ordering ◽  
Rapid Reduction ◽  
One Dimensional ◽  
Range Magnetic Order ◽  
A Charge ◽  
Ordering Transition ◽  
Long Range Magnetic Order

ABSTRACTThe synthesis, structure and magnetic properties of monoclinic Nb12O29 are described. The synthesis of a pure bulk sample is difficult due to the large number of other similar phases. It is achieved by rapid reduction of H-Nb2O5 with Nb metal. The compound is shown to undergo a charge ordering transition at low temperature which provokes long range magnetic order in an intriguing one dimensional arrangement.

scholarly journals Probing the edge between integrability and quantum chaos in interacting few-atom systems

Quantum ◽  
2021 ◽  
Vol 5 ◽  
pp. 486
Author(s):  
Thomás Fogarty ◽  
Miguel Ángel García-March ◽  
Lea F. Santos ◽  
Nathan L. Harshman
Keyword(s):  
Quantum Chaos ◽  
Cold Atoms ◽  
Quantum Systems ◽  
Particle Interactions ◽  
Body System ◽  
Many Body ◽  
One Dimensional ◽  
The Core ◽  
Emergence Of Chaos ◽  
Number Of Particles

Interacting quantum systems in the chaotic domain are at the core of various ongoing studies of many-body physics, ranging from the scrambling of quantum information to the onset of thermalization. We propose a minimum model for chaos that can be experimentally realized with cold atoms trapped in one-dimensional multi-well potentials. We explore the emergence of chaos as the number of particles is increased, starting with as few as two, and as the number of wells is increased, ranging from a double well to a multi-well Kronig-Penney-like system. In this way, we illuminate the narrow boundary between integrability and chaos in a highly tunable few-body system. We show that the competition between the particle interactions and the periodic structure of the confining potential reveals subtle indications of quantum chaos for 3 particles, while for 4 particles stronger signatures are seen. The analysis is performed for bosonic particles and could also be extended to distinguishable fermions.

scholarly journals Probing non-thermal density fluctuations in the one-dimensional Bose gas

2017 ◽  
Vol 3 (3) ◽  
Author(s):  
Jacopo De Nardis ◽  
Milosz Panfil ◽  
Andrea Gambassi ◽  
Leticia Cugliandolo ◽  
Robert Konik ◽  
...  
Keyword(s):  
Spatial Dimension ◽  
Bose Gas ◽  
Density Fluctuations ◽  
Dynamical Structure ◽  
Many Body ◽  
Initial State ◽  
One Dimensional ◽  
Fluctuation Dissipation ◽  
Quantum Integrable Models ◽  
The One

Quantum integrable models display a rich variety of non-thermal excited states with unusual properties. The most common way to probe them is by performing a quantum quench, i.e., by letting a many-body initial state unitarily evolve with an integrable Hamiltonian. At late times these systems are locally described by a generalized Gibbs ensemble with as many effective temperatures as their local conserved quantities. The experimental measurement of this macroscopic number of temperatures remains elusive. Here we show that they can be obtained for the Bose gas in one spatial dimension by probing the dynamical structure factor of the system after the quench and by employing a generalized fluctuation-dissipation theorem that we provide. Our procedure allows us to completely reconstruct the stationary state of a quantum integrable system from state-of-the-art experimental observations.

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