Hidden chiral signatures in ferroaxial K2Zr(PO4)2

We use first-principles calculations and multipole analyses to demonstrate the relationship between ferroaxiality and chirality in the prototypical ferroaxial material K2Zr(PO4)2.

We use first-principles calculations and multipole analyses to demonstrate the relationship between ferroaxiality and chirality in the prototypical ferroaxial material K2Zr(PO4)2. Using the atomic-site electric toroidal monopole as a measure of electronic chirality in real…