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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 2013 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2013★ 54 cited

Manipulating Ferroelectric Domains in Nanostructures Under Electron Beams

Rajeev Ahluwalia, Nathaniel Ng, Alina Schilling +5

Freestanding BaTiO3 nanodots exhibit domain structures characterized by distinct quadrants of ferroelastic 90° domains in transmission electron microscopy (TEM) observations. These…

cond-mat.mtrl-sci2013★ 109 cited

Nonlinear optics from an ab-initio approach by means of the dynamical Berry phase: Application to second- and third-harmonic generation in semiconductors

C. Attaccalite, M. Grüning

We present an ab-initio real-time-based computational approach to study nonlinear optical properties in condensed matter systems that is especially suitable for crystalline solids…

cond-mat.mtrl-sci2013★ 23 cited

A fully quantum mechanical calculation of the diffusivity of hydrogen in iron using the tight binding approximation and path integral theory

I. H. Katzarov, A. T. Paxton, D. L. Pashov

We present calculations of free energy barriers and diffusivities as functions of temperature for the diffusion of hydrogen in bcc-Fe. This is a fully quantum mechanical approach s…

cond-mat.mtrl-sci2013★ 30 cited

Analysis of a carbon dimer bound to a vacancy in iron using density functional theory and a new tight binding model

A. T. Paxton, C. Elsaesser

Recent density functional theory (DFT) calculations by Foerst et al. have predicted that vacancies in both low and high carbon steels have a carbon dimer bound to them. This is lik…

cond-mat.mtrl-sci2013★ 2.8k cited

The nitrogen-vacancy colour centre in diamond

Marcus W. Doherty, Neil B. Manson, Paul Delaney +3

The nitrogen-vacancy (NV) colour centre in diamond is an important physical system for emergent quantum technologies, including quantum metrology, information processing and commun…

cond-mat.mtrl-sci2013★ 18 cited

Improved magnetization in sputtered dysprosium thin films

G. Scheunert, W. R. Hendren, A. A. Lapicki +3

50nm thick nanogranular polycrystalline dysprosium thin films have been prepared via ultra-high vacuum DC sputtering on SiO2 and Si wafers. The maximum in-plane spontaneous magneti…