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Title: Density matrix renormalization group study of a three-orbital Hubbard model with spin-orbit coupling in one dimension

Abstract

Using the density matrix renormalization group technique we study the effect of spin-orbit coupling on a three-orbital Hubbard model in the (t 2g) 4 sector and in one dimension. Fixing the Hund coupling to a robust value compatible with some multiorbital materials, we present the phase diagram varying the Hubbard U and spin-orbit coupling λ, at zero temperature. Our results are shown to be qualitatively similar to those recently reported using the dynamical mean-field theory in higher dimensions, providing a robust basis to approximate many-body techniques. Among many results, we observe an interesting transition from an orbital-selective Mott phase to an excitonic insulator with increasing λ at intermediate U. In the strong U coupling limit, we find a nonmagnetic insulator with an effective angular momentum <(J eff) 2>≠0 near the excitonic phase, smoothly connected to the <(J eff) 2>=0 regime. In conclusion, we also provide a list of quasi-one-dimensional materials where the physics discussed in this paper could be realized.

Authors:
 [1];  [1]; ORCiD logo [1]; ORCiD logo [2];  [1]; ORCiD logo [2];  [1]
  1. The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1413618
Alternate Identifier(s):
OSTI ID: 1398741
Grant/Contract Number:
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 15; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Kaushal, Nitin, Herbrych, Jacek W., Nocera, Alberto, Alvarez, Gonzalo, Moreo, Adriana, Reboredo, Fernando A., and Dagotto, Elbio R.. Density matrix renormalization group study of a three-orbital Hubbard model with spin-orbit coupling in one dimension. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.96.155111.
Kaushal, Nitin, Herbrych, Jacek W., Nocera, Alberto, Alvarez, Gonzalo, Moreo, Adriana, Reboredo, Fernando A., & Dagotto, Elbio R.. Density matrix renormalization group study of a three-orbital Hubbard model with spin-orbit coupling in one dimension. United States. doi:10.1103/PhysRevB.96.155111.
Kaushal, Nitin, Herbrych, Jacek W., Nocera, Alberto, Alvarez, Gonzalo, Moreo, Adriana, Reboredo, Fernando A., and Dagotto, Elbio R.. Mon . "Density matrix renormalization group study of a three-orbital Hubbard model with spin-orbit coupling in one dimension". United States. doi:10.1103/PhysRevB.96.155111.
@article{osti_1413618,
title = {Density matrix renormalization group study of a three-orbital Hubbard model with spin-orbit coupling in one dimension},
author = {Kaushal, Nitin and Herbrych, Jacek W. and Nocera, Alberto and Alvarez, Gonzalo and Moreo, Adriana and Reboredo, Fernando A. and Dagotto, Elbio R.},
abstractNote = {Using the density matrix renormalization group technique we study the effect of spin-orbit coupling on a three-orbital Hubbard model in the (t2g)4 sector and in one dimension. Fixing the Hund coupling to a robust value compatible with some multiorbital materials, we present the phase diagram varying the Hubbard U and spin-orbit coupling λ, at zero temperature. Our results are shown to be qualitatively similar to those recently reported using the dynamical mean-field theory in higher dimensions, providing a robust basis to approximate many-body techniques. Among many results, we observe an interesting transition from an orbital-selective Mott phase to an excitonic insulator with increasing λ at intermediate U. In the strong U coupling limit, we find a nonmagnetic insulator with an effective angular momentum <(Jeff)2>≠0 near the excitonic phase, smoothly connected to the <(Jeff)2>=0 regime. In conclusion, we also provide a list of quasi-one-dimensional materials where the physics discussed in this paper could be realized.},
doi = {10.1103/PhysRevB.96.155111},
journal = {Physical Review B},
number = 15,
volume = 96,
place = {United States},
year = {Mon Oct 09 00:00:00 EDT 2017},
month = {Mon Oct 09 00:00:00 EDT 2017}
}

Journal Article:
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