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Full-Text Articles in Physical Sciences and Mathematics
Magnetochemical Origin For Invar Anomalies In Iron-Nickel Alloys, V. Crisan, P. Entel, H. Ebert, H. Akai, Duane D. Johnson, J. B. Staunton
Magnetochemical Origin For Invar Anomalies In Iron-Nickel Alloys, V. Crisan, P. Entel, H. Ebert, H. Akai, Duane D. Johnson, J. B. Staunton
Duane D. Johnson
Zero- and finite-temperature (T) first-principles calculations versus composition (c) show that magnetochemical effects lead to Invar anomalies in Fe-(Ni, Co, Pt) alloys. Chemical short- or long-range order and negative interatomic exchange interaction of electrons in antibonding majority-spin states force the face-centered-cubic lattice to compete simultaneously for a smaller volume (from antiferromagnetic tendencies) and a larger volume (from Stoner ferromagnetic tendencies). The resulting additional negative lattice anharmonicity is very large for Fe-(Ni, Co) while absent for Fe-Pt. Our results explain the T- and c-dependent behavior of Invar properties, including the lattice softening and thermal expansion of Fe-Ni. In addition, the occurrence …
Absolute Tin(111) Step Energies From Analysis Of Anisotropic Island Shape Fluctuations, S. Kodambaka, V. Petrova, S. V. Khare, Duane D. Johnson, I. Petrov, J. E. Greene
Absolute Tin(111) Step Energies From Analysis Of Anisotropic Island Shape Fluctuations, S. Kodambaka, V. Petrova, S. V. Khare, Duane D. Johnson, I. Petrov, J. E. Greene
Duane D. Johnson
In situ high-temperature (1165–1248 K) scanning tunneling microscopy was used to measure fluctuations around the equilibrium shape of two-dimensional vacancy islands on TiN(111) terraces. From the equilibrium shape, the ratio of the two ⟨110⟩ step energies was found to be 0.72±0.02. Combining this with the results of an exact approach for analysis of shape fluctuations, applicable to highly anisotropic islands, we obtain absolute values for step energies and step stiffnesses as a function of orientation.
First-Principles Theory Of The Temperature And Compositional Dependence Of Atomic Short-Range Order In Disordered Cu-Pd Alloys, R. V. Chepulskii, J. B. Staunton, Ezio Bruno, B. Ginatempo, Duane D. Johnson
First-Principles Theory Of The Temperature And Compositional Dependence Of Atomic Short-Range Order In Disordered Cu-Pd Alloys, R. V. Chepulskii, J. B. Staunton, Ezio Bruno, B. Ginatempo, Duane D. Johnson
Duane D. Johnson
We combine the first-principles, Korringa-Kohn-Rostoker coherent potential approximation based calculations of compositional fluctuations with a statistical mechanical ring approximation to study the temperature (T) and composition (c) dependence of the atomic short-range order (SRO) in disordered, face-centred cubic, Cu-Pd alloys. The fourfold splitting of SRO peaks around the equivalent X(0,1,0) points in reciprocal space is obtained in a wide T−c region. Such splitting is shown to be an “energy” effect caused by the absolute minima of the Fourier transform of the effective atomic interactions and related previously to the existence of nested sheets of the disordered alloy’s Fermi surface. However, …