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7 papers · 2 filters
Thermodynamics of proton insertion across the perovskite-brownmillerite transition in La0.5Sr0.5CoO3-δ
Armand J. Lannerd, Nathan J. Szymanski, Christopher J. Bartel
LaSrCoO3- is a promising off-stoichiometric metal oxide that undergoes a topotactic perovskite ( = 0) to brownmillerite ( = 0.5) transition under electrochem…
Noncollinear Magnetic Multipoles in Collinear Altermagnets
Luca Buiarelli, Rafael M. Fernandes, Turan Birol
Altermagnets host an array of magnetic multipoles, which are often visualized and studied in the reciprocal space. In the real space, the relative phase of the multipoles of the sp…
Comparative study of ensemble-based uncertainty quantification methods for neural network interatomic potentials
Yonatan Kurniawan, Mingjian Wen, Ellad B. Tadmor +1
Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near first-principles accuracy at substantially reduced computational cost, making them powerful t…
Electronic and structural properties of Rh- and Pd-based kagome layered shandites from first principles
Luca Buiarelli, Turan Birol, Brian M. Andersen +1
The shandite structure hosts transition metal ions arranged in kagome layers. These layers are stacked rhombohedrally and are interspersed with post-transition metal ions and chalc…
Altermagnetic band splitting in 10 nm epitaxial CrSb thin films
Sandra Santhosh, Paul Corbae, Wilson J. Yanez-Parreno +14
Altermagnets are a newly identified family of collinear antiferromagnets with momentum-dependent spin-split band structure of non-relativistic origin, derived from spin-group symme…
Roadmap for Photonics with 2D Materials
F. Javier García de Abajo, D. N. Basov, Frank H. L. Koppens +145
Triggered by the development of exfoliation and the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or few atomic layer…