electronic structure | density functional theory | effective Hamiltonian
Publication Date
2014-05
Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.111, no.19, pp.6900 - 6904
Publisher
NATL ACAD SCIENCES
Abstract
The Rashba effect is spin degeneracy lift originated from spin–
orbit coupling under inversion symmetry breaking and has been
intensively studied for spintronics applications. However, easily
implementable methods and corresponding materials for directional
controls of Rashba splitting are still lacking. Here, we propose
organic–inorganic hybrid metal halide perovskites as 3D Rashba
systems driven by bulk ferroelectricity. In these materials, it is
shown that the helical direction of the angular momentum texture
in the Rashba band can be controlled by external electric fields via
ferroelectric switching. Our tight-binding analysis and first-principles
calculations indicate that S=1=2 and J =1=2 Rashba bands directly
coupled to ferroelectric polarization emerge at the valence and
conduction band edges, respectively. The coexistence of two contrasting
Rashba bands having different compositions of the spin
and orbital angular momentum is a distinctive feature of these
materials. With recent experimental evidence for the ferroelectric
response, the halide perovskites will be, to our knowledge, the
first practical realization of the ferroelectric-coupled Rashba effect,
suggesting novel applications to spintronic devices.