Magnetic Excitations and Electronic Interactions in : A Spin- Square Lattice Heisenberg Antiferromagnet
Journal Article
·
· Physical Review Letters
- École Polytechnique Fédérale de Lausanne (EPFL), Lausanne (Switzerland)
- Institut Laue-Langevin (France)
- Paul Scherrer Institut, Villigen (Switzerland)
- Univ. of Zagreb (Croatia)
- Tokyo Inst. of Technology, Meguro, Tokyo (Japan)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Univ. of California, Davis, CA (United States)
- Université Paris-Est (France)
Sr2CuTeO6 presents an opportunity for exploring low-dimensional magnetism on a square lattice of S = 1/2 Cu2+ ions. In this study, we employ ab initio multireference configuration interaction calculations to unravel the Cu2+ electronic structure and to evaluate exchange interactions in Sr2CuTeO6. The latter results are validated by inelastic neutron scattering using linear spin-wave theory and series-expansion corrections for quantum effects to extract true coupling parameters. Lastly, using this methodology, which is quite general, we demonstrate that Sr2CuTeO6 is an almost ideal realization of a nearest-neighbor Heisenberg antiferromagnet but with relatively weak coupling of 7.18(5) meV.
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- AC52-07NA27344; LLNL-JRNL-692712
- OSTI ID:
- 1557072
- Alternate ID(s):
- OSTI ID: 1334228
- Report Number(s):
- LLNL-JRNL-692712; PRLTAO; 820705
- Journal Information:
- Physical Review Letters, Vol. 117, Issue 23; ISSN 0031-9007
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Cited by: 33 works
Citation information provided by
Web of Science
Web of Science
Similar Records
Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent Halides(;, Ba)
Measurement of higher-order multipole amplitudes in with and search for the transition
Effect of heavy-ion irradiation on London penetration depth in overdoped Ba(Fe Co ) As
Journal Article
·
Wed Jul 22 00:00:00 EDT 2015
· Physical Review Applied
·
OSTI ID:1557072
Measurement of higher-order multipole amplitudes in with and search for the transition
Journal Article
·
Thu Apr 06 00:00:00 EDT 2017
· Physical Review D
·
OSTI ID:1557072
+427 more
Effect of heavy-ion irradiation on London penetration depth in overdoped Ba(Fe Co ) As
Journal Article
·
Thu Aug 01 00:00:00 EDT 2013
· Physical Review. B, Condensed Matter and Materials Physics
·
OSTI ID:1557072
+7 more