Matches in SemOpenAlex for { <https://semopenalex.org/work/W2107647579> ?p ?o ?g. }
- W2107647579 abstract "Cu(1,3-benzenedicarboxylate) [Cu(1,3-bdc)] contains structurally perfect kagome planes formed by ${mathrm{Cu}}^{2+}$ ions without the presence of diamagnetic defects. This organometallic compound should serve as a precious platform to explore quantum frustrated magnetism, yet the experimental results so far are mysterious, leading to questions such as, ``Is Cu(1,3-bdc) just a trivial weak ferromagnet?'' Using the density functional theory, we have systematically studied the electronic and magnetic properties of Cu(1,3-bdc), putting forth a theoretical basis to clarify this novel material. We present numerical evidence of a dominating antiferromagnetic (AFM) exchange between nearest-neighbor (NN) ${mathrm{Cu}}^{2+}$ as experimentally extracted from the high-temperature susceptibility data. We further show that beyond the NN AFM exchange, the additional interactions in Cu(1,3-bdc) have similar strength as those in the well-studied kagome antiferromagnet, herbertsmithite, by designing a comparative study. In the end, we discuss our understanding of the phase transition and FM signals observed under low temperature." @default.
- W2107647579 created "2016-06-24" @default.
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- W2107647579 date "2015-10-01" @default.
- W2107647579 modified "2023-10-12" @default.
- W2107647579 title "First-principles study of the organometallic<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mi>S</mml:mi><mml:mo>=</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:math>kagome compound Cu(1,3-bdc)" @default.
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- W2107647579 doi "https://doi.org/10.1103/physrevb.92.165101" @default.
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