Abstract
An effective Hamiltonian scheme combined with a GPU implementation of the linear-scaling three-dimensional fragment (LS3DF) method is used to compute electronic properties of two topological objects in a nanocomposite: an electrical vortex coexisting with spontaneous electrical polarization over a wide temperature range and an electrical skyrmion over a range of applied electric fields. Temperature control of the vortex provides substantially larger range of control of bandgap and band alignment than field control of the skyrmion. Using temperature and electric fields to manipulate polarization and bond angle distortion in different component materials provides a handle for bandgap engineering in such nanostructures.
Published Version
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