Microstructures and properties of high-entropy alloys

We review the methods which have been developed over the past several years to determine the behavior of solids whose properties vary randomly at the microscopic level, with principal attention to systems having composition variation on a well-defined structure (random "alloys"). We begin with a survey of the various elementary excitations and put the dynamics of electrons, phonons, magnons, and excitons into one common descriptive Hamiltonian; we then review the use of double-time thermodynamic Green's functions to determine the experimental properties of systems. Next we discuss these aspects of the problem which derive from the statistical specification of the microscopic parameters; we examine what information can and cannot be obtained from averaged Green's functions. The central portion of the review concerns methods for calculating the averaged Green's function to successively better approximation, including various self-consistent methods, and higher-order cluster effects. The last part of the review presents a comparison of theory with the experimental results of a variety of properties---optical, electronic, magnetic, and neutron scattering. An epilogue calls attention to the similarity between these problems and those of other fields where random material heterogeneity has played an essential role.

The theory and properties of randomly disordered crystals and related physical systems

Electrons in disordered systems and the theory of localization

The body of research on (III,Mn)V diluted magnetic semiconductors initiated during the 1990's has concentrated on three major fronts: i) the microscopic origins and fundamental physics of the ferromagnetism that occurs in these systems, ii) the materials science of growth and defects and iii) the development of spintronic devices with new functionalities. This article reviews the current status of the field, concentrating on the first two, more mature research directions. From the fundamental point of view, (Ga,Mn)As and several other (III,Mn)V DMSs are now regarded as textbook examples of a rare class of robust ferromagnets with dilute magnetic moments coupled by delocalized charge carriers. Both local moments and itinerant holes are provided by Mn, which makes the systems particularly favorable for realizing this unusual ordered state. Advances in growth and post-growth treatment techniques have played a central role in the field, often pushing the limits of dilute Mn moment densities and the uniformity and purity of materials far beyond those allowed by equilibrium thermodynamics. In (III,Mn)V compounds, material quality and magnetic properties are intimately connected. In the review we focus on the theoretical understanding of the origins of ferromagnetism and basic structural, magnetic, magneto-transport, and magneto-optical characteristics of simple (III,Mn)V epilayers, with the main emphasis on (Ga,Mn)As. The conclusions we arrive at are based on an extensive literature covering results of complementary ab initio and effective Hamiltonian computational techniques, and on comparisons between theory and experiment.

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Theory of ferromagnetic (III, Mn) V semiconductors

This article reviews quantum cluster theories, a set of approximations for infinite lattice models which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation. These methods become exact when the cluster size diverges, and most recover the corresponding mean-field approximation when the cluster size becomes 1. Although quantum cluster theories were originally developed to treat disordered systems, they have more recently been applied to the study of ordered and disordered correlated systems, which will be the focus of this review. After a brief historical review, the authors provide detailed derivations of three cluster formalisms: the cluster perturbation theory, the dynamical cluster approximation, and the cellular dynamical mean-field theory. They compare their advantages and review their applications to common models of correlated electron systems.

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Quantum cluster theories

We introduce a model of a substitutional alloy based on the concept of an effective or coherent potential which, when placed on every site of the alloy lattice, will simulate the electronic properties of the actual alloy. The coherent potential is necessarily a complex, energy-dependent quantity. We evaluate the model for the simple case of a one-dimensional alloy of $\ensuremath{\delta}$-function potentials. In order to provide a basis for comparison, as well as to see if a simpler scheme will suffice, we also calculate the spectrum of the same alloy using the average $t$-matrix approximation introduced by Beeby. On the basis of these results, we conclude that the average $t$-matrix approximation is not adequate for the description of an actual transition-metal alloy, while the coherent-potential picture will provide a more reasonable facsimile of the density of states in such an alloy.

Paul Soven

Papers

Coherent-Potential Model of Substitutional Disordered Alloys