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- National Radio Astronomy ObservatoryUS344 papers
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71 papers · 1 filter
Chirality Cannot Be Ferroic in Enantiomorphic Space-Groups
F. Gómez-Ortiz, S. Mamoudou Taganga, E. E. McCabe +2
With growing interest in structural chirality in periodic solids, it has been suggested that chirality might constitute a new ferroic order parameter. In this work, we demonstrate,…
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
Matthieu J. Verstraete, Joao Abreu, Guillaume E. Allemand +71
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response properties. This paper p…
Anisotropic response of defect bound states to magnetic field in epitaxial FeSn films
Huimin Zhang, Zhengfei Wang, Michael Weinert +1
Crystal defects, whether intrinsic or engineered, drive many fundamental phenomena and novel functionalities of quantum materials. Here, we report symmetry-breaking phenomena induc…
Pathways to crystal chirality An algorithm to identify new displacive chiral phase transitions
Fernando Gómez-Ortiz, Aldo H. Romero, Eric Bousquet
We present an algorithm that integrates pseudosymmetry search with first-principles calculations to systematically identify achiral parent structures and establish potential chiral…
Polar phonons and magnetic excitations in the antiferromagnet CoF
R. M. Dubrovin, A. Tellez-Mora, A. C. Garcia-Castro +6
The coupling between antiferromagnetic spins and infrared-active phonons in solids is responsible for many intriguing phenomena and is a field of intense research with extensive po…
Structural chirality measurements and computation of handedness in periodic solids
Fernando Gómez-Ortiz, Mauro Fava, Emma E. McCabe +2
We compare the various chirality measures most widely used in the literature to quantify chiral symmetry in extended solids, i.e., the continuous chirality measure, the Hausdorff d…