Abstract

The entropy stabilized oxide Mg$_{0.2}$Co$_{0.2}$Ni$_{0.2}$Cu$_{0.2}$Zn$_{0.2}$O exhibits antiferromagnetic order and magnetic excitations, as revealed by recent neutron scattering experiments. This observation raises the question of the nature of spin wave excitations in such disordered systems. Here, we investigate theoretically the magnetic ground state and the spin-wave excitations using linear spin-wave theory in combination with the supercell approximation to take into account the extreme disorder in this magnetic system. We find that the experimentally observed antiferromagnetic structure can be stabilized by a rhombohedral distortion together with large second nearest neighbor interactions. Our calculations show that the spin-wave spectrum consists of a well-defined low-energy coherent spectrum in the background of an incoherent continuum that extends to higher energies.

Highlights

  • Entropy stabilization means that a single phase is stabilized by the mixing entropy gained from randomly distributing a number of elements, typically five or more, over a single crystal lattice [1]

  • We find that large next-nearest-neighbor exchange couplings and large rhombohedral distortions are required in order to stabilize the experimentally observed antiferromagnetic ground state with propagation vector q = (1/2, 1/2, 1/2)

  • In this paper we have investigated the spin-wave excitations in the high entropy oxide Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O (MgO-high entropy oxides (HEOs))

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Summary

Introduction

Entropy stabilization means that a single phase is stabilized by the mixing entropy gained from randomly distributing a number of elements, typically five or more, over a single crystal lattice [1]. By mixing equimolar amounts of MgO, CoO, NiO, CuO, and ZnO, Rost et al [2] found that Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O (hereafter MgO-HEO) could be stabilized in a simple rock-salt structure in which the oxygen atoms occupy one of the face-centered cubic (fcc) sublattices and the cations are randomly distributed over the other fcc sublattice. The entropy stabilized nature of the phase is apparent when considering that CuO and ZnO do not form in the rock-salt structure that forces Cu and Zn into octahedral coordination. Rost et al demonstrated that the sample could be switched between a multiphase structure and the aforementioned single phase rock-salt structure by repeated heating and cooling, thereby proving the reversibility of the entropy-driven transition. The HEOs are interesting from a basic scientific point of view, and exhibit promising functional properties, such as high Li-ion storage capacity and cycling stability [3], colossal di-

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