17 papers
Hidden chiral signatures in ferroaxial K2Zr(PO4)2
Nora Taufertshöfer, Awadhesh Narayan, Nicola A. Spaldin
We use first-principles calculations and multipole analyses to demonstrate the relationship between ferroaxiality and chirality in the prototypical ferroaxial material K2Zr(PO4)2.…
On multipoles, their decomposition by time-reversal symmetry, and the electric toroidal monopole
Vinzenz A. Müller, Nora Taufertshöfer, Nicola A. Spaldin
The multipole decomposition of the single-site density matrix provides a symmetry-adapted representation of local electronic degrees of freedom. Conventional, so-called fixed-shell…
Polarizing ultrathin ferroelectric BaTiO3 films through interfacial layer polarization
Ipek Efe, Edith Simmen, Tobias Goldenberger +3
An important requirement for the integration of ferroelectric thin films into devices is deterministic control of the polarization state in films of only a few unit cells in thickn…
Chiral Surface Phonons
Mike Pols, Nicola A. Spaldin
We use symmetry arguments combined with density functional theory to demonstrate that all surfaces of crystalline materials host surface phonons that are chiral. As model system, w…
Chirality in BaTiOCu(PO)
Alex Hallett, Nicola A. Spaldin
We present a first principles study of the ferrochiral phase transition in chiral BaTiOCu(PO), which has been shown using X-ray diffraction to proceed via the antiferro…
Piezomagnetic Switching of Nonvolatile Antiferromagnetic States
Xilai Bao, Oleksandr V. Pylypovskyi, Huali Yang +17
Prospective spintronic memory and logic devices will benefit from the negligible stray field and ultrafast magnetic dynamics inherent to antiferromagnets [1]. However, realizing is…