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Full-Text Articles in Condensed Matter Physics
First-Principles Study Of Phase Stability In Cu-Zn Substitutional Alloys, P. E. A. Turchi, M. Sluiter, F. J. Pinski, Duane D. Johnson, D. M. Nicholson, G. M. Stocks, J. B. Staunton
First-Principles Study Of Phase Stability In Cu-Zn Substitutional Alloys, P. E. A. Turchi, M. Sluiter, F. J. Pinski, Duane D. Johnson, D. M. Nicholson, G. M. Stocks, J. B. Staunton
Duane D. Johnson
A parameter-free approach to phase stability in Cu-Zn substitutional alloys is shown to describe order-disorder phenomena and structural transformations with remarkable accuracy. The method is based on a multiple-scattering description of the electronic structure properties of the random alloy. Configurational order is treated within the generalized perturbation method and the concentration-functional theory. Thermodynamical properties of α and β brasses are derived from the cluster variation method. This advanced scheme is of general validity and is expected to yield similarly accurate results for other Hume-Rothery alloys.
Origins Of Compositional Order In Nipt Alloys, F. J. Pinski, B. Ginatempo, Duane D. Johnson, J. B. Staunton, G. M. Stocks, B. L. Gyorffy
Origins Of Compositional Order In Nipt Alloys, F. J. Pinski, B. Ginatempo, Duane D. Johnson, J. B. Staunton, G. M. Stocks, B. L. Gyorffy
Duane D. Johnson
We investigate the cause of compositional ordering in fcc Ni0.50Pt0.50 on the basis of a first-principles theory of electronic structure and finite-temperature concentration fluctuations. We treat the size effect, electronegativity, and band filling on an equal footing and find that the first of these dominates, leading to L10 ordering in agreement with experiment. An electronic origin is given for the metallurgical ‘‘rule of thumb’’ that alloys comprised of big atoms and little atoms tend to order into simple stuctures.
The Interaction Between Dislocations And Intergranular Cracks, H. Zhang, Alexander H. King, R. Thomson
The Interaction Between Dislocations And Intergranular Cracks, H. Zhang, Alexander H. King, R. Thomson
Alexander H. King
The elastic interactions of dislocations and intergranular cracks in isotropic materials have been studied. In the first part of the paper, a model based on the Rice–Thomson theory is established under which the conditions for dislocation emission and crack propagation can be described in terms of an emission surface, cleavage surface, and loading line in the local k-space associated with a mixed mode intergranular crack. For a given crack, the local k-field changes with the emission of dislocations from the crack tip, which alters the balance of cleavage and emission. In the second part, we present experimental results of in …
The Slater–Pauling Curve: First Principles Calculations Of The Moments Of Fe1 − C Ni C And V1 − C Fe C, Duane Johnson, F. Pinski, J. Staunton
The Slater–Pauling Curve: First Principles Calculations Of The Moments Of Fe1 − C Ni C And V1 − C Fe C, Duane Johnson, F. Pinski, J. Staunton
Duane D. Johnson
We have performed calculations of the electronic structure of the random substitutional alloys Fe1−c Ni c and V1−c Fe c using the spin‐polarized, self‐consistent Korringa–Kohn–Rostoker coherent‐potential approximation (KKR‐CPA) method. This is a first principles method based on spin density functionaltheory and a local spin density approximation for the exchange and correlation functional. For fcc Fe1−c Ni c , a range of volumes were considered for 0.25
Novel Ce Magnetism In Cedipnictide And Di‐Ce Pnictide Structures, Paul C. Canfield, J. D. Thompson, Z. Fisk
Novel Ce Magnetism In Cedipnictide And Di‐Ce Pnictide Structures, Paul C. Canfield, J. D. Thompson, Z. Fisk
Paul C. Canfield
Results of electrical resistance and magnetic susceptibility measurements on Ce2Bi, Ce2Sb, CeScGe, CeScSi and CeSb2 are presented. Ce2Bi and Ce2Sb have antiferromagnetictransitions at low temperatures, while CeSb2, CeScGe and CeScSi have ferromagnetictransitions, CeScGe having a T c = 46 K. The data are analyzed with respect to the similarities of the two crystal structure groups that these materials fall into: CeSb2 having the LaSb2structure and the other materials all having the La2Sb structure.
Magnetism And Heavy Fermion‐Like Behavior In The Rbipt Series, Paul C. Canfield, J. D. Thompson, W. P. Beyermann, A. Lacerda, M. F. Hundley, E. Peterson, Z. Fisk, H. R. Ott
Magnetism And Heavy Fermion‐Like Behavior In The Rbipt Series, Paul C. Canfield, J. D. Thompson, W. P. Beyermann, A. Lacerda, M. F. Hundley, E. Peterson, Z. Fisk, H. R. Ott
Paul C. Canfield
Members of the RBiPt (R=Ce–Lu with the exceptions of Pm and Eu) series have been grown as single crystals.Magnetic susceptibility and electrical resistance have been measured on all members of the series, and specific heatmeasurements have been performed on representatives. The high temperature resistance uniformly changes from that of a small‐gap semiconductor or semimetal seen in NdBiPt to that of a heavy‐fermion metal seen in YbBiPt, which shows a linear coefficient of specific heat at low temperatures of 8 J/K2 mole. Further, the lighter rare earth members show an unusually sharp increase in their resistance associated with antiferromagnetic ordering at …