Abstract
We predict that iron-based superconductors discovered near d6 configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d5 (namely, half filling). This is based on the many-variable variational Monte Carlo results for abinitio low-energy models derived by the downfolding. The d5 Mott proximity extends to subsequent emergence of incoherent metals, orbital differentiations due to the Mott physics, and Hund's rule coupling, followed by antiferromagnetic quantum criticality, in quantitative accordance with available experiments.
| Original language | English |
|---|---|
| Article number | 177007 |
| Journal | Physical Review Letters |
| Volume | 108 |
| Issue number | 17 |
| DOIs | |
| Publication status | Published - 2012 Apr 27 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
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Ab initio evidence for strong correlation associated with Mott proximity in iron-based superconductors. / Misawa, Takahiro; Nakamura, Kazuma; Imada, Masatoshi.
In: Physical Review Letters, Vol. 108, No. 17, 177007, 27.04.2012.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Ab initio evidence for strong correlation associated with Mott proximity in iron-based superconductors
AU - Misawa, Takahiro
AU - Nakamura, Kazuma
AU - Imada, Masatoshi
PY - 2012/4/27
Y1 - 2012/4/27
N2 - We predict that iron-based superconductors discovered near d6 configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d5 (namely, half filling). This is based on the many-variable variational Monte Carlo results for abinitio low-energy models derived by the downfolding. The d5 Mott proximity extends to subsequent emergence of incoherent metals, orbital differentiations due to the Mott physics, and Hund's rule coupling, followed by antiferromagnetic quantum criticality, in quantitative accordance with available experiments.
AB - We predict that iron-based superconductors discovered near d6 configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d5 (namely, half filling). This is based on the many-variable variational Monte Carlo results for abinitio low-energy models derived by the downfolding. The d5 Mott proximity extends to subsequent emergence of incoherent metals, orbital differentiations due to the Mott physics, and Hund's rule coupling, followed by antiferromagnetic quantum criticality, in quantitative accordance with available experiments.
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U2 - 10.1103/PhysRevLett.108.177007
DO - 10.1103/PhysRevLett.108.177007
M3 - Article
VL - 108
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 17
M1 - 177007
ER -