One-dimensional physics of the frustrated quantum magnet PHCC.
We report a comprehensive microscopic study of the frustrated quantum magnet PHCC, (CHN)CuCl, using density-functional band-structure calculations combined with numerical quantum many-body simulations of the underlying spin Hamiltonian. We show that the magnetism of PHCC is captured by a one-dimensi...
| Published in: | Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 81; no. 5; pp. 335 - 348 |
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| Main Authors: | , , |
| Format: | Article |
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De Gruyter
May2026
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| Subjects: | |
| Online Access: | View this record in EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=193392199&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 193392199 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 09320784 FL07 jtl: Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences issn: 09320784 maglogo: N pubinfo: dt: May2026 vid: 81 iid: 5 pid: 1734 pub: De Gruyter artinfo: ui: 193392199 10.1515/zna-2025-0406 ppf: 335 ppct: 13 formats: tig: atl: One-dimensional physics of the frustrated quantum magnet PHCC. aug: au: Tsirlin, Alexander A. Janson, Oleg Rousochatzakis, Ioannis affil: Felix Bloch Institute for Solid-State Physics, 9180 University of Leipzig, 04103 Leipzig, Germany Institute for Theoretical Solid State Physics, Leibniz IFW Dresden, 01069 Dresden, Germany Department of Physics, Loughborough University, Loughborough,, LE11 3TU, UK su: Magnetic susceptibility Heisenberg model Quasiparticles Antiferromagnetic materials Computational physics Density functionals sug: subj: Magnetic susceptibility Heisenberg model Quasiparticles Antiferromagnetic materials Computational physics Density functionals keyword: excitation continuum frustrated magnetism microscopic magnetic model spin chain ab: We report a comprehensive microscopic study of the frustrated quantum magnet PHCC, (CHN)CuCl, using density-functional band-structure calculations combined with numerical quantum many-body simulations of the underlying spin Hamiltonian. We show that the magnetism of PHCC is captured by a one-dimensional model of the frustrated spin chain with alternating nearest-neighbor couplings (J = 23.1 K, J 1 ′ = 7.0 K) and uniform next-nearest-neighbor couplings (J = 13.9 K). This model, which can also be thought of as a zigzag ladder, provides a quantitative description of the magnetic susceptibility and the magnetization process and accounts for the observed dispersion of the single-triplet band and its merging into a continuum near the Brillouin zone center. We also make predictions for the existence of sharp bound (antibound) states of two triplets, below (above) the bottom (upper) edge of the two-particle scattering continuum. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2026 holdings: @attributes: islocal: N |
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