output
19942026
most citedThe Astropy Project: Sustaining and Growing a Community-oriented Open-source Project and the Latest Major Release (v5.0) of the Core Package

5k citations

Showing 2007 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2007★ 88 cited

Boron in copper: a perfect misfit in the bulk and cohesion enhancer at a grain boundary

A. Y. Lozovoi, A. T. Paxton

Our ab initio study suggests that boron segregation to the Sigma 5(310)[001] grain boundary should strengthen the boundary up to 1.5 ML coverage (15.24 at/nm^2). The maximal effect…

cond-mat.mtrl-sci2007★ 42 cited

Magnetic tight-binding and the iron-chromium enthalpy anomaly

A. T. Paxton, M. W. Finnis

We describe a self consistent magnetic tight-binding theory based in an expansion of the Hohenberg-Kohn density functional to second order, about a non spin polarised reference den…

cond-mat.mtrl-sci2007★ 21 cited

Robust non-adiabatic molecular dynamics for metals and insulators

L. Stella, M. Meister, A. J. Fisher +1

We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the me…

cond-mat.mtrl-sci2007★ 24 cited

On the Newtonian origin of the spin motive force in ferromagnetic atomic wires

Maria Stamenova, Tchavdar N. Todorov, Stefano Sanvito

We demonstrate numerically the existence of a spin-motive force acting on spin-carriers when moving in a time and space dependent internal field. This is the case of electrons in a…

cond-mat.mtrl-sci2007★ 34 cited

Conformal oxide coating of Carbon Nanotubes

S. Kawasaki, G. Catalan, H. Fan +8

The International Roadmap for Ferroelectric Memories requires three-dimensional integration of high-dielectric materials onto metal interconnects or bottom electrodes by 2010. We r…

cond-mat.mtrl-sci2007★ 57 cited

Domains in Three-dimensional Ferroelectric Nanostructures: Theory and Experiment

G. Catalan, J. F. Scott, A. Schilling +1

Ferroelectric random access memory cells (FeRAMs) have reached 450 x 400 nm production (0.18 micron^2) at Samsung with lead zirconate-titanate (PZT), 0.13 micron^2 at Matsushita wi…