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Full-Text Articles in Physics

Β-Mn-Type Co8+Xzn12–X As A Defect Cubic Laves Phase: Site Preferences, Magnetism, And Electronic Structure, Weiwei Xie, Srinvasa Timmaiah, Jagat Lamal, Jing Liu, Thomas W. Heitmann, Dante Quirinale, A. I. Goldman, Vitalij K. Pecharsky, Gordon J. Miller Jan 2013

Β-Mn-Type Co8+Xzn12–X As A Defect Cubic Laves Phase: Site Preferences, Magnetism, And Electronic Structure, Weiwei Xie, Srinvasa Timmaiah, Jagat Lamal, Jing Liu, Thomas W. Heitmann, Dante Quirinale, A. I. Goldman, Vitalij K. Pecharsky, Gordon J. Miller

Chemistry Publications

The results of crystallographic analysis, magnetic characterization, and theoretical assessment of β-Mn-type Co–Zn intermetallics prepared using high-temperature methods are presented. These β-Mn Co–Zn phases crystallize in the space group P4132 [Pearson symbol cP20; a = 6.3555(7)–6.3220(7)], and their stoichiometry may be expressed as Co8+xZn12–x [1.7(2) < x < 2.2(2)]. According to a combination of single-crystal X-ray diffraction, neutron powder diffraction, and scanning electron microscopy, atomic site occupancies establish clear preferences for Co atoms in the 8c sites and Zn atoms in the 12d sites, with all additional Co atoms replacing some Zn atoms, a result that can be rationalized by electronic structure calculations. Magnetic measurements and neutron powder diffraction of an equimolar Co:Zn sample confirm ferromagnetism in this phase with a Curie temperature of ∼420 K. Neutron powder diffraction and electronic structure calculations using the local spin density approximation indicate that the spontaneous magnetization of this phase arises exclusively from local moments at the Co atoms. Inspection of the atomic arrangements of Co8+xZn12–x reveals that the β-Mn aristotype may be derived from an ordered defect, cubic Laves phase (MgCu2-type) structure. Structural optimization procedures using the Vienna ab initio simulation package (VASP) and starting ...


Analytic Formulations For One-Dimensional Decay Of Rectangular Homoepitaxial Islands During Coarsening On Anisotropic Fcc (110) Surfaces, Chi-Jen Wang, Yong Han, Holly L. Walen, Selena M. Russell, Patricia A. Thiel, James W. Evans Jan 2013

Analytic Formulations For One-Dimensional Decay Of Rectangular Homoepitaxial Islands During Coarsening On Anisotropic Fcc (110) Surfaces, Chi-Jen Wang, Yong Han, Holly L. Walen, Selena M. Russell, Patricia A. Thiel, James W. Evans

Chemistry Publications

Submonolayer homoepitaxial fcc (110) systems display behavior reflecting strong anisotropy at lower temperatures, including one-dimensional decay during Ostwald ripening of rectangular islands maintaining constant width in the 〈001〉 direction. To appropriately describe this behavior, we first develop a refined continuum Burton-Cabrera-Frank formalism, which accounts for a lack of equilibration of island shape and importantly also for inhibited incorporation of adatoms at almost-faceted 〈1̄10〉 island edges through effective kinetic coefficients. This formalism is shown to describe accurately the adatom diffusion fluxes between islands and thus island evolution for a complex experimental island configuration, as confirmed by matching results ...


Communication: Structure, Formation, And Equilibration Of Ensembles Of Ag-S Complexes On An Ag Surface, Selena M. Russell, Yousoo Kim, Da-Jiang Liu, James W. Evans, Patricia A. Thiel Jan 2013

Communication: Structure, Formation, And Equilibration Of Ensembles Of Ag-S Complexes On An Ag Surface, Selena M. Russell, Yousoo Kim, Da-Jiang Liu, James W. Evans, Patricia A. Thiel

Chemistry Publications

We have utilized conditions of very low temperature (4.7 K) and very low sulfur coverage to isolate and identify Ag-S complexes that exist on the Ag(111) surface. The experimental conditions are such that the complexes form at temperatures above the temperature of observation. These complexes can be regarded as polymeric chains of varying length, with an Ag4S pyramid at the core of each monomeric unit. Steps may catalyze the formation of the chains and this mechanism may be reflected in the chain length distribution.


Anisotropic Coarsening: One-Dimensional Decay Of Ag Islands On Ag(110), Yong Han, Selena M. Russell, Anthony R. Layson, Holly L. Walen, Chad D. Yuen, Patricia A. Thiel, James W. Evans Jan 2013

Anisotropic Coarsening: One-Dimensional Decay Of Ag Islands On Ag(110), Yong Han, Selena M. Russell, Anthony R. Layson, Holly L. Walen, Chad D. Yuen, Patricia A. Thiel, James W. Evans

Chemistry Publications

Scanning tunneling microscopy studies show that coarsening of arrays of rectangular single-layer Ag islands on Ag(110) at 220 K and below occurs by one-dimensional (1D) decay of narrower islands, which maintain roughly constant width in the 〈001〉 direction. Adatoms mainly detach from the island ends with 〈001〉 step edges. 1D decay derives from the absence of corner rounding diffusion from 〈001〉 to 〈1̅ 10〉 edges and from inhibited nucleation of new layers on 〈1̅ 10〉 edges. In contrast, rounding from 〈1̅ 10〉 to 〈001〉 edges is active. The island decay rate exhibits an unexpectedly low effective Arrhenius energy due ...