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Updated: Aug 13, 2025

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
Published on: March 24, 2019
Electron-nuclear hyperfine coupling in quantum kagome antiferromagnets from first-principles calculation and a
Shunhong Zhang1, Yi Zhou2, Feng Liu3
1Institute for Advanced Study, Tsinghua University, Beijing 100084, China.
Abstract:
The discovery of ideal spin-1/2 kagome antiferromagnets Herbertsmithite and Zn-doped Barlowite represents a breakthrough in the quest for quantum spin liquids (QSLs), and nuclear magnetic resonance (NMR) spectroscopy plays a prominent role in revealing the quantum paramagnetism in these compounds. However, interpretation of NMR data that is often masked by defects can be controversial. Here, we show that the most significant interaction strength for NMR, i.e. the hyperfine coupling (HFC) strength, can be reasonably reproduced by first-principles calculations for these proposed QSLs. Applying this method to a supercell containing Cu-Zn defects enables us to map out the variation and distribution of HFC at different nuclear sites. This predictive power is expected to bridge the missing link in the analysis of the low-temperature NMR data.
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