Abstract
Using first-principles calculations we predict that the layered-perovskite metal Bi5Mn5O17 is a ferromagnet, ferroelectric, and ferrotoroid which may realize the long sought-after goal of a room-temperature ferromagnetic single-phase multiferroic with large, strongly coupled, primary-order polarization and magnetization. Bi5Mn5O17 has two nearly energy-degenerate ground states with mutually orthogonal vector order parameters (polarization, magnetization, ferrotoroidicity), which can be rotated globally by switching between ground states. Giant cross-coupling magnetoelectric and magnetotoroidic effects, as well as optical non-reciprocity, are thus expected. Importantly, Bi5Mn5O17 should be thermodynamically stable in O-rich growth conditions, and hence experimentally accessible.
Highlights
Using first-principles calculations we predict that the layered-perovskite metal Bi5Mn5O17 is a ferromagnet, ferroelectric, and ferrotoroid which may realize the long sought-after goal of a room-temperature ferromagnetic single-phase multiferroic with large, strongly coupled, primary-order polarization and magnetization
More than two concurrent orders rarely coexist in a multiferroic, and this is especially true of metals, where multiferroicity itself is already unexpected
BiMO is a metal possessing three spaceorthogonal vector-order parameters: magnetization M, polarization P, and ferrotoroidal moment T, generated by simultaneous time reversal and inversion symmetry breaking; it exists in two nearly energy-degenerate multiferroic ground states, which can be transformed into one another, causing the order-parameter triad to rotate in space; it exhibits giant magnetoelectricity, and potentially other couplings among the three orders, including toroidicity-related optical effects; it has a sizable thermodynamic stability window, so it can be grown in practice
Summary
Using first-principles calculations we predict that the layered-perovskite metal Bi5Mn5O17 is a ferromagnet, ferroelectric, and ferrotoroid which may realize the long sought-after goal of a room-temperature ferromagnetic single-phase multiferroic with large, strongly coupled, primary-order polarization and magnetization. BiMO is a metal possessing three spaceorthogonal vector-order parameters: magnetization M, polarization P, and ferrotoroidal moment T, generated by simultaneous time reversal and inversion symmetry breaking; it exists in two nearly energy-degenerate multiferroic ground states, which can be transformed into one another, causing the order-parameter triad to rotate in space; it exhibits giant magnetoelectricity, and potentially other couplings among the three orders, including toroidicity-related optical effects; it has a sizable thermodynamic stability window, so it can be grown in practice.
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