Journal•ISSN: 0305-4608

# Journal of Physics F: Metal Physics

IOP Publishing

About: Journal of Physics F: Metal Physics is an academic journal. The journal publishes majorly in the area(s): Electrical resistivity and conductivity & Scattering. It has an ISSN identifier of 0305-4608. Over the lifetime, 4757 publications have been published receiving 93027 citations.

Topics: Electrical resistivity and conductivity, Scattering, Fermi surface, Ferromagnetism, Magnetization

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TL;DR: In this paper, a new theory of spin glasses is proposed, which offers a simple explanation of the cusp found experimentally in the susceptibility, which is smoothed by an external field.

Abstract: A new theory of the class of dilute magnetic alloys, called the spin glasses, is proposed which offers a simple explanation of the cusp found experimentally in the susceptibility. The argument is that because the interaction between the spins dissolved in the matrix oscillates in sign according to distance, there will be no mean ferro- or antiferromagnetism, but there will be a ground state with the spins aligned in definite directions, even if these directions appear to be at random. At the critical temperature the existence of these preferred directions affects the orientation of the spins, leading to a cusp in the susceptibility. This cusp is smoothed by an external field. Although the behaviour at low t needs a quantum mechanical treatment, it is interesting to complete the classical calculations down to t=0. Classically the susceptibility tends to a constant value at t=0, and the specific heat to a constant value.

2,965 citations

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TL;DR: In this article, the surface and bulk densities of states of a solid described by stacking of principal layers are obtained by means of an iterative procedure which allows the inclusion of 2n layers after n iterations, and simultaneous calculation of the Green functions for both the 'right' and 'left' surfaces as well as for the bulk (or central) principal layer, and the use of imaginary parts eta as small as one wishes in the energy without any large increase in computing time.

Abstract: The surface and bulk densities of states of a solid described by the stacking of principal layers are obtained by means of an iterative procedure which allows (i) the inclusion of 2n layers after n iterations, (ii) the simultaneous calculation of the Green functions for both the 'right' and 'left' surfaces as well as for the bulk (or central) principal layer, and (iii) the use of imaginary parts eta as small as one wishes in the energy without any large increase in computing time, so that the limit eta to 0 can really be obtained. As a by-product the authors obtain (i) the 'right' and 'left' transfer matrices of the 'effective field' or continuous fraction approach and (ii) a factorisation theorem which relates the Green functions of both surfaces to the Green functions of both surfaces to the Green functions of the bulk and the free metal atom.

1,628 citations

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TL;DR: In this article, the Slater-Koster algorithm is used for the calculation of tight-binding parameters with a basis of nine orbitals per atom (4d, 5s, 5p).

Abstract: The transfer matrix of a solid described by the stacking of principal layers is obtained by an iterative procedure which takes into account 2 layers after n iterations, in contrast to usual schemes where each iteration includes just one more layer. The Green function and density of states at the surface of the corresponding semi-infinite crystal are then given by well known formulae in terms of the transfer matrix. This method, especially convenient near singularities, is applied to the calculation of the spectral as well as the total densities of states for the (100) face of molybdenum. The Slater-Koster algorithm for the calculation of tight-binding parameters is used with a basis of nine orbitals per atom (4d, 5s, 5p). Surface states and resonances are first identified and then analysed into orbital components to find their dominant symmetry. Their evolution along the main symmetry lines of the two-dimensional Brillouin zone is given explicitly. The surface-state peak just below the Fermi level (Swanson hump) is not obtained. This is traced to the difficulty in placing an appropriate boundary condition at the surface with the tight-binding parameterisation scheme.

995 citations

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TL;DR: In this paper, a mean-field theory of magnetic phase transitions in metals was developed based on a spin-polarised density functional description of the electrons, and the average of the electronic grand potential averaged over various ensembles of such'spin' configurations.

Abstract: On the basis of a spin-polarised density functional description of the electrons, the authors develop a 'mean-field' theory of magnetic phase transitions in metals. The one-electron-like finite-temperature Schrodinger equation is solved, formally, for random orientations of local moments and the corresponding grand potential is used in a statistical mechanics of the spin configurations. This latter, in the mean-field approximation, requires the knowledge of the electronic grand potential averaged over various ensembles of such 'spin' configurations. These averages are carried out with the help of the Korringa-Kohn-Rostoker coherent-potential-approximation (KKR CPA) method for dealing with electrons in random potential fields. Then, the whole procedure is made self-consistent on the average. The theory determines the local moment mu , the Curie temperature TC, and the susceptibility chi (q,T) in addition to the electronic structure at finite temperatures without adjustable parameters. The authors illustrate the explicit calculations for iron. The local moment is found to be 1.9 mu B above TC, and the preliminary estimate of Tc is 1250K.

694 citations

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TL;DR: In this article, the band structure of chromium dioxide has been calculated with the augmented spherical wave method by performing self-consistent spin-polarised calculations, and a new class of half-metallic ferromagnets is found in the rutile structure.

Abstract: The band structure of chromium dioxide, which is an important material because of its magnetic properties, has been calculated with the augmented spherical wave method by performing self-consistent spin-polarised calculations. The majority-spin electrons are metallic, whereas the minority-spin electrons are semiconducting. A new class of half-metallic ferromagnets is found in the rutile structure.

581 citations