Uncovering hidden spin polarization of energy bands in antiferromagnets
Apr 1, 2023·
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0 min read
Linding Yuan
Xiuwen Zhang
Carlos Mera Acosta
Alex Zunger
Abstract
Many textbook physical effects in crystals are enabled by some specific
symmetries. In contrast to such “apparent effects”, “hidden effect X”
refers to the general condition where the nominal global system
symmetry would disallow the effect X, whereas the symmetry of local
sectors within the crystal would enable effect X. Known examples
include the hidden Rashba and/or hidden Dresselhaus spin polarization
that require spin–orbit coupling, but unlike their apparent counterparts
are demonstrated to exist in non-magnetic systems even in
inversion-symmetric crystals. Here, we discuss hidden spin polarization
effect in collinear antiferromagnets without the requirement for
spin–orbit coupling (SOC). Symmetry analysis suggests that
antiferromagnets hosting such effect can be classified into six types
depending on the global vs local symmetry. We identify which of the
possible collinear antiferromagnetic compounds will harbor such hidden
polarization and validate these symmetry enabling predictions with
first-principles density functional calculations for several
representative compounds. This will boost the theoretical and
experimental efforts in finding new spin-polarized materials.
Type
Publication
Nature Communications 14, 5301 (2023)

Authors
I develop predictive theories of condensed matter materials and propose them for experimentalists to make. My work pairs first-principles calculations with symmetry analysis to discover new classes of materials with interesting electronic and magnetic properties. Specific material class of interests include semicondcutors and ferroic materials. My recent interest extends to integrating these methods into agentic workflows to accelerate materials discovery.
I moved to Evanston in May 2023 to join the Rondinelli Group at Northwestern University as a research associate.