title: On the control of magnetic anisotropy through an external electric field.
abstract: The effect of an external electric field on the magnetic anisotropy of a single-molecule magnet has been investigated, for the first time, with the help of DFT. The application of an electric field can alter the magnetic anisotropy from "easy-plane" to "easy-axis" type. Excitation analysis performed through time-dependent DFT predicts that the external electric field facilitates metal to π-acceptor ligand charge transfer, leading to uniaxial magnetic anisotropy and concomitant spin Hall effect in a single molecule.
authors.affiliation: Department of Chemistry, University of North Bengal, Darjeeling 734013, West Bengal (India).
authors.forename: Tamal
authors.initials: T
authors.lastname: Goswami
authors.forename: Anirban
authors.initials: A
authors.lastname: Misra
keywords: charge transfer; density functional calculations; electochemistry; magnetic properties; spin Hall effects