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Title: Effect of canted antiferromagnetic order on the electronic structure in the t–J* model within the cluster perturbation theory

Abstract

The electronic structure in the two-dimensional t–J* model with canted antiferromagnetic order in an external magnetic field has been calculated within the cluster perturbation theory. In zero external field, the evolution of the Fermi surface with n-type doping has been obtained in good agreement with experimental data on cuprate superconductors. It has been shown that the inclusion of short-range correlations can result in a nonmonotonic dependence of the spectral weight distribution at the Fermi level on the external magnetic field. In contrast to the case of electron doping, such changes in the case of hole doping can be expected at experimentally achievable fields.

Authors:
; ;  [1]
  1. Russian Academy of Sciences, Kirensky Institute of Physics, Siberian Branch (Russian Federation)
Publication Date:
OSTI Identifier:
22617179
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Experimental and Theoretical Physics; Journal Volume: 123; Journal Issue: 3; Other Information: Copyright (c) 2016 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANTIFERROMAGNETISM; COMPUTERIZED SIMULATION; CORRELATIONS; CUPRATES; DISTRIBUTION; DISTURBANCES; ELECTRONIC STRUCTURE; ELECTRONS; FERMI LEVEL; MAGNETIC FIELDS; N-TYPE CONDUCTORS; PERTURBATION THEORY; P-TYPE CONDUCTORS; SUPERCONDUCTORS; TWO-DIMENSIONAL CALCULATIONS; TWO-DIMENSIONAL SYSTEMS

Citation Formats

Kuz’min, V. I., E-mail: kuz@iph.krasn.ru, Nikolaev, S. V., and Ovchinnikov, S. G. Effect of canted antiferromagnetic order on the electronic structure in the t–J* model within the cluster perturbation theory. United States: N. p., 2016. Web. doi:10.1134/S1063776116090065.
Kuz’min, V. I., E-mail: kuz@iph.krasn.ru, Nikolaev, S. V., & Ovchinnikov, S. G. Effect of canted antiferromagnetic order on the electronic structure in the t–J* model within the cluster perturbation theory. United States. doi:10.1134/S1063776116090065.
Kuz’min, V. I., E-mail: kuz@iph.krasn.ru, Nikolaev, S. V., and Ovchinnikov, S. G. 2016. "Effect of canted antiferromagnetic order on the electronic structure in the t–J* model within the cluster perturbation theory". United States. doi:10.1134/S1063776116090065.
@article{osti_22617179,
title = {Effect of canted antiferromagnetic order on the electronic structure in the t–J* model within the cluster perturbation theory},
author = {Kuz’min, V. I., E-mail: kuz@iph.krasn.ru and Nikolaev, S. V. and Ovchinnikov, S. G.},
abstractNote = {The electronic structure in the two-dimensional t–J* model with canted antiferromagnetic order in an external magnetic field has been calculated within the cluster perturbation theory. In zero external field, the evolution of the Fermi surface with n-type doping has been obtained in good agreement with experimental data on cuprate superconductors. It has been shown that the inclusion of short-range correlations can result in a nonmonotonic dependence of the spectral weight distribution at the Fermi level on the external magnetic field. In contrast to the case of electron doping, such changes in the case of hole doping can be expected at experimentally achievable fields.},
doi = {10.1134/S1063776116090065},
journal = {Journal of Experimental and Theoretical Physics},
number = 3,
volume = 123,
place = {United States},
year = 2016,
month = 9
}
  • The concentration dependences of the band structure, spectral weight, density of states, and Fermi surface in the paramagnetic state are studied in the Hubbard model within cluster pertubation theory with 2 Multiplication-Sign 2 clusters. Representation of the Hubbard X operators makes it possible to control conservation of the spectral weight in constructing cluster perturbation theory. The calculated value of the ground-state energy is in good agreement with the results obtained using nonperturbative methods such as the quantum Monte Carlo method, exact diagonalization of a 4 Multiplication-Sign 4 cluster, and the variational Monte Carlo method. It is shown that in themore » case of hole doping, the states in the band gap (in-gap states) lie near the top of the lower Hubbard band for large values of U and near the bottom of the upper band for small U. The concentration dependence of the Fermi surface strongly depends on hopping to second (t Prime ) and third (t Double-Prime ) neighbors. For parameter values typical of HTSC cuprates, the existence of three concentration regions with different Fermi surfaces is demonstrated. It is shown that broadening of the spectral electron density with an energy resolution typical of contemporary ARPES leads to a pattern of arcs with a length depending on the concentration. Only an order-of-magnitude decrease in the linewidth makes it possible to obtain the true Fermi surface from the spectral density. The kinks associated with strong electron correlations are detected in the dispersion relation below the Fermi level.« less
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  • We present a general perturbative method for correcting a singles and doubles coupled-cluster energy. The coupled-cluster wave function is used to define a similarity-transformed Hamiltonian, which is partitioned into a zeroth-order part that the reference problem solves exactly plus a first-order perturbation. Standard perturbation theory through second-order provides the leading correction. Applied to the valence optimized doubles (VOD) approximation to the full-valence complete active space self-consistent field method, the second-order correction, which we call (2), captures dynamical correlation effects through external single, double, and semi-internal triple and quadruple substitutions. A factorization approximation reduces the cost of the quadruple substitutions tomore » only sixth order in the size of the molecule. A series of numerical tests are presented showing that VOD(2) is stable and well-behaved provided that the VOD reference is also stable. The second-order correction is also general to standard unwindowed coupled-cluster energies such as the coupled-cluster singles and doubles (CCSD) method itself, and the equations presented here fully define the corresponding CCSD(2) energy. (c) 2000 American Institute of Physics.« less
  • Within the framework of the method based on an orbitally stoichiometric cluster and the ab initio PRTDO scheme, a study has been made of the electronic and energy structure of an aluminosilicate bulk phase and isolated surface defects due to differences in the degree and form of dehydroxylation. A comparative evaluation has been made of the acidity and basicity of the Lewis and Bronsted centers that are formed by the dehydroxylation. The acidity of the Lewis centers has been examined in relation to the nature of the groups bound to a neighboring Si center. The same as was established previouslymore » for /PSI/-Al/sub 2/O/sub 3/, it has been found that electron-donor substituents on the neighboring center weaken the acidity of the Lewis centers, and electron-acceptor substituents increase the acidity.« less