Electronic Origin of Tc in Bulk and Monolayer FeSe
Abstract
FeSe is classed as a Hund’s metal, with a multiplicity of d bands near the Fermi level. Correlations in Hund’s metals mostly originate from the exchange parameter J, which can drive a strong orbital selectivity in the correlations. The Fe-chalcogens are the most strongly correlated of the Fe-based superconductors, with dxy the most correlated orbital. Yet little is understood whether and how such correlations directly affect the superconducting instability in Hund’s systems. By applying a recently developed ab initio theory, we show explicitly the connections between correlations in dxy and the superconducting critical temperature Tc. Starting from the ab initio results as a reference, we consider various kinds of excursions in parameter space around the reference to determine what controls Tc. We show small excursions in J can cause colossal changes in Tc. Additionally we consider changes in hopping by varying the Fe-Se bond length in bulk, in the free standing monolayer M-FeSe, and M-FeSe on a SrTiO3 substrate (M-FeSe/STO). The twin conditions of proximity of the dxy state to the Fermi energy, and the strength of J emerge as the primary criteria for incoherent spectral response and enhanced single- and two-particle scattering that in turn controls Tc. Using c-RPA,more »
- Authors:
-
[1];
- King's College, London (United Kingdom); Radboud Univ., Nijmegen (Netherlands)
- King's College, London (United Kingdom)
- King's College, London (United Kingdom); National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Publication Date:
- Research Org.:
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE); Simons Many-Electron Collaboration; Engineering and Physical Sciences Research Council (EPSRC)
- OSTI Identifier:
- 1770921
- Report Number(s):
- NREL/JA-5F00-79447
Journal ID: ISSN 2073-8994; MainId:33673;UUID:4e83d057-8122-48c1-a8c2-f036dede3657;MainAdminID:19960; TRN: US2206862
- Grant/Contract Number:
- AC36-08GO28308; EP/P020259/1
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Symmetry
- Additional Journal Information:
- Journal Volume: 13; Journal Issue: 2; Journal ID: ISSN 2073-8994
- Publisher:
- MDPI
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; unconventional superconductivity; spin susceptibilities; vertex functions; hund’s metals
Citation Formats
Acharya, Swagata, Pashov, Dimitar, Jamet, Francois, and van Schilfgaarde, Mark. Electronic Origin of Tc in Bulk and Monolayer FeSe. United States: N. p., 2021.
Web. doi:10.3390/sym13020169.
Acharya, Swagata, Pashov, Dimitar, Jamet, Francois, & van Schilfgaarde, Mark. Electronic Origin of Tc in Bulk and Monolayer FeSe. United States. https://doi.org/10.3390/sym13020169
Acharya, Swagata, Pashov, Dimitar, Jamet, Francois, and van Schilfgaarde, Mark. Sat .
"Electronic Origin of Tc in Bulk and Monolayer FeSe". United States. https://doi.org/10.3390/sym13020169. https://www.osti.gov/servlets/purl/1770921.
@article{osti_1770921,
title = {Electronic Origin of Tc in Bulk and Monolayer FeSe},
author = {Acharya, Swagata and Pashov, Dimitar and Jamet, Francois and van Schilfgaarde, Mark},
abstractNote = {FeSe is classed as a Hund’s metal, with a multiplicity of d bands near the Fermi level. Correlations in Hund’s metals mostly originate from the exchange parameter J, which can drive a strong orbital selectivity in the correlations. The Fe-chalcogens are the most strongly correlated of the Fe-based superconductors, with dxy the most correlated orbital. Yet little is understood whether and how such correlations directly affect the superconducting instability in Hund’s systems. By applying a recently developed ab initio theory, we show explicitly the connections between correlations in dxy and the superconducting critical temperature Tc. Starting from the ab initio results as a reference, we consider various kinds of excursions in parameter space around the reference to determine what controls Tc. We show small excursions in J can cause colossal changes in Tc. Additionally we consider changes in hopping by varying the Fe-Se bond length in bulk, in the free standing monolayer M-FeSe, and M-FeSe on a SrTiO3 substrate (M-FeSe/STO). The twin conditions of proximity of the dxy state to the Fermi energy, and the strength of J emerge as the primary criteria for incoherent spectral response and enhanced single- and two-particle scattering that in turn controls Tc. Using c-RPA, we show further that FeSe in monolayer form (M-FeSe) provides a natural mechanism to enhance J. We explain why M-FeSe/STO has a high Tc, whereas M-FeSe in isolation should not. Our study opens a paradigm for a unified understanding what controls Tc in bulk, layers, and interfaces of Hund’s metals by hole pocket and electron screening cloud engineering.},
doi = {10.3390/sym13020169},
journal = {Symmetry},
number = 2,
volume = 13,
place = {United States},
year = {Sat Jan 23 00:00:00 EST 2021},
month = {Sat Jan 23 00:00:00 EST 2021}
}
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