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Sign-free determinant quantum Monte Carlo study of excitonic density orders in a two-orbital Hubbard-Kanamori model

Journal Article · · Physical Review. B
 [1];  [2];  [3];  [4]
  1. Stanford Univ., CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); SLAC National Accelerator Laboratory/Stanford University
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  3. Univ. of Pennsylvania, Philadelphia, PA (United States)
  4. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., CA (United States)
+ Show Author Affiliations

While excitonic instabilities in multiorbital systems recently have come under scrutiny in a variety of transition-metal compounds, understanding emergence of these instabilities from strong electronic interactions has remained a challenge. In this work, we present a sign-problem-free determinant quantum Monte Carlo study of excitonic density orders in a half-filled two-orbital Hubbard-Kanamori model with broken orbital degeneracy, which accounts for the role of Hund's coupling in transition-metal compounds. For strong inverted (negative) Hund's exchange, we find numerical evidence for the emergence of excitonic density order, with competition between anti-ferro-orbital order and Q = (π, π) excitonic density order as a function of orbital splitting and Hund's coupling. While inverted Hund's coupling stabilizes a spin-singlet excitonic density phase for weak orbital splitting, positive Hund's coupling favors a spin-triplet excitonic density phase.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Stanford Univ., CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Science Foundation (NSF)
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1869466
Journal Information:
Physical Review. B, Journal Name: Physical Review. B Journal Issue: 16 Vol. 105; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
charge density waves
electrical properties
excitons
quasiparticles and collective excitations