Topological strongly correlated phases in orthorhombic diamond lattice compounds

We explore the Mott transition in orthorhombic diamond lattices relevant to $(\mathrm{ET}){\mathrm{Ag}}_{4}{(\mathrm{CN})}_{5}$ molecular compounds. The noninteracting phases include nodal line, Dirac and/or Weyl semimetals depending on the strength of spin-orbit coupling, and the degree of dimerization of the lattice. Based on an extension of slave-rotor mean-field theory which accounts for magnetic order, we find a transition from a semimetal to a paramagnetic Mott insulator at a critical onsite Coulomb repulsion ${U}_{c}$, which becomes N\'eel ordered at a larger ${U}_{\mathrm{cm}}>{U}_{c}$. The resulting intermediate Mott phase is a $\text{U}(1)$ quantum spin liquid (QSL) consisting on spinons preserving the nodal structure of the nearby semimetallic phases. While the QSL can be regarded a nodal-line Mott insulator (NLMI) in the absence of spin-orbit interaction (SOI), it behaves as a Dirac Mott insulator for nonzero SOI. An analysis of the Green's function in the NLMI shows how the zeros follow the spinon nodal-line bands carrying the topology while the poles describe the Hubbard bands. Our results are relevant to recent observations in $(\mathrm{ET}){\mathrm{Ag}}_{4}{(\mathrm{CN})}_{5}$ molecular compounds in which the ambient pressure N\'eel ordered Mott insulator is gradually suppressed until semimetallic behavior arises at larger pressures.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-04-18
DOI
https://doi.org/10.1103/physrevb.111.165133
Citations
1
Primary Topic
Topological Materials and Phenomena
Type
article
Field-Weighted Citation Impact
1.25

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article

Topological strongly correlated phases in orthorhombic diamond lattice compounds

Jaime Merino, Manuel Fernández López, Jorge Bravo‐Abad, M. A. García-Blázquez et al.
1 citations
Physical review. B./Physical review. B
Topological Materials and Phenomena
1.25
article

Topological strongly correlated phases in orthorhombic diamond lattice compounds

Jaime Merino, Manuel Fernández López, Jorge Bravo‐Abad, M. A. García-Blázquez, Javier Castro Luaces
article en
1 citations

Abstract

We explore the Mott transition in orthorhombic diamond lattices relevant to $(\mathrm{ET}){\mathrm{Ag}}_{4}{(\mathrm{CN})}_{5}$ molecular compounds. The noninteracting phases include nodal line, Dirac and/or Weyl semimetals depending on the strength of spin-orbit coupling, and the degree of dimerization of the lattice. Based on an extension of slave-rotor mean-field theory which accounts for magnetic order, we find a transition from a semimetal to a paramagnetic Mott insulator at a critical onsite Coulomb repulsion ${U}_{c}$, which becomes N\'eel ordered at a larger ${U}_{\mathrm{cm}}>{U}_{c}$. The resulting intermediate Mott phase is a $\text{U}(1)$ quantum spin liquid (QSL) consisting on spinons preserving the nodal structure of the nearby semimetallic phases. While the QSL can be regarded a nodal-line Mott insulator (NLMI) in the absence of spin-orbit interaction (SOI), it behaves as a Dirac Mott insulator for nonzero SOI. An analysis of the Green's function in the NLMI shows how the zeros follow the spinon nodal-line bands carrying the topology while the poles describe the Hubbard bands. Our results are relevant to recent observations in $(\mathrm{ET}){\mathrm{Ag}}_{4}{(\mathrm{CN})}_{5}$ molecular compounds in which the ambient pressure N\'eel ordered Mott insulator is gradually suppressed until semimetallic behavior arises at larger pressures.

Physical review. B./Physical review. BVol. 111(16)
Universidad Autónoma de Madrid (ES)
Family Process Institute, Federación Española de Enfermedades Raras
Openalex Percentile: Top 22%
Topological Materials and Phenomena
1.25
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Topological strongly correlated phases in orthorhombic diamond lattice compounds — Jaime Merino, Manuel Fernández López, et al. · Physical review. B./Physical review. B (2025) | TGRS Research Map | TGRS