Energy Bands in Cooper
About: This article is published in Physical Review.The article was published on 1935-10-15. It has received 94 citations till now.
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01 Jan 2004TL;DR: In this paper, the Kohn-Sham ansatz is used to solve the problem of determining the electronic structure of atoms, and the three basic methods for determining electronic structure are presented.
Abstract: Preface Acknowledgements Notation Part I. Overview and Background Topics: 1. Introduction 2. Overview 3. Theoretical background 4. Periodic solids and electron bands 5. Uniform electron gas and simple metals Part II. Density Functional Theory: 6. Density functional theory: foundations 7. The Kohn-Sham ansatz 8. Functionals for exchange and correlation 9. Solving the Kohn-Sham equations Part III. Important Preliminaries on Atoms: 10. Electronic structure of atoms 11. Pseudopotentials Part IV. Determination of Electronic Structure, The Three Basic Methods: 12. Plane waves and grids: basics 13. Plane waves and grids: full calculations 14. Localized orbitals: tight binding 15. Localized orbitals: full calculations 16. Augmented functions: APW, KKR, MTO 17. Augmented functions: linear methods Part V. Predicting Properties of Matter from Electronic Structure - Recent Developments: 18. Quantum molecular dynamics (QMD) 19. Response functions: photons, magnons ... 20. Excitation spectra and optical properties 21. Wannier functions 22. Polarization, localization and Berry's phases 23. Locality and linear scaling O (N) methods 24. Where to find more Appendixes References Index.
2,690 citations
TL;DR: In this paper, a theoretical investigation is made of the distribution of electrons round a positively charged impurity dissolved in a monovalent metal, and the relation of these results to the Hume-Rothery rule is discussed.
Abstract: Summary A theoretical investigation is made of the distribution of electrons round a positively charged impurity dissolved in a monovalent metal. Applications are made to dissolved hydrogen, where the impurity is a proton, and to atoms such as zinc, gallium, etc., which are usually considered to contribute their electrons to the conduction electrons. In all cases the positive charge must be screened; and in many cases this is shown to occur through the formation of bound states below the level of the Fermi distribution. The relation of these results to the Hume-Rothery rule is discussed. The ideas introduced are used to calculate the heats of solution of hydrogen and of polyvalent metals in the noble metals, and to discuss the magnetic properties of these alloys. A detailed discussion is given of x-ray emission and absorption, the vacancy left in the x-ray shell being here treated as the positive impurity. In certain cases quantitative predictions are made about the energies of x-ray absorption edges. Dis...
782 citations
01 Aug 1962
TL;DR: In this paper, the position of the Fermi surface of non-magnetic chromium was estimated based on electron energy levels in body-centred cubic transition metals, and it was shown that almost the whole of this surface is placed so that the introduction of an antiferromagnetic superlattice will lower the electron energy, so that such a structure should be expected to be stable at low temperatures.
Abstract: Recent calculations of electron energy levels in body-centred cubic transition metals are used to estimate the position of the Fermi surface of non-magnetic chromium. It is shown that almost the whole of this surface is placed so that the introduction of an antiferromagnetic superlattice will lower the electron energy, so that such a structure should be expected to be stable at low temperatures, in accordance with observation. The complexity of the magnetic structure is not explained. The shape of the Fermi surfaces for the non-magnetic material is in accord with the properties of molybdenum and tungsten.
351 citations
TL;DR: The theory of cohesive properties of solids has been studied in this article, where the authors propose a quantum theory for cohesive properties in solids, which they call Quantum Theory of Cohesive Properties of Solids.
Abstract: (1956). Quantum theory of cohesive properties of solids. Advances in Physics: Vol. 5, No. 17, pp. 1-171.
233 citations
TL;DR: In this paper, the authors present a discussion on the electronic properties of binary substitutional alloys within the single particle approximation, and present a didactic exposition of the equilibrium properties.
Abstract: Publisher Summary The chapter presents a discussion on the electronic properties of binary substitutional alloys within the single particle approximation. The transport and magnetic properties of such alloys have received a great deal of attention, the chapter presents a discussion on the didactic exposition of the equilibrium properties. The theoretical approach to be developed is that of multiple scattering theory. This approach has a long history, having been used extensively in earlier work dealing with acoustic and electromagnetic wave propagation in random media. Its application to the electronic properties of alloys has proceeded rapidly during recent years, beginning with several works. Of the various types of disordered systems, substitutional binary alloys are among the simplest. In the absence of short range order, the two constituents A and B of an alloy AxB1-x, having a concentration x of A atoms, are placed randomly on a periodic point lattice. Thus, even though Bloch's theorem does not apply, an effective medium theory akin to the Weiss theory of ferromagnetism can still be formulated. Within certain approximations, this theory retains some of the features of the periodic potential problem. However, in contrast to the perfect crystal, the electronic states have complex energies. This distinction is essential. The chapter begins by reviewing the early alloy theories and their relationship to some more recent experimental results, which illustrate their limitations.
212 citations