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Concept

Miller index

Related publications (27)

Momentum dependence of the excitons in pentacene

Helmuth Berger

We have carried out electron energy-loss investigations of the lowest singlet excitons in pentacene at 20 K. Our studies allow to determine the full exciton band structure in the a*, b* reciprocal lattice plane. The lowest singlet exciton can move coherent ...

2012

Revised self-consistent continuum solvation in electronic-structure calculations

Nicola Marzari, Oliviero Andreussi

The solvation model proposed by Fattebert and Gygi [J. Comput. Chem. 23, 662 (2002)] and Scherlis et al. [J. Chem. Phys. 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations encountered and extending its range of applicability. ...

2012

Ab initio reconstruction of difference densities by charge flipping

Thomas Alois Weber, Philip Pattison

The charge-flipping algorithm in its band-flipping variant is capable of ab initio reconstructions of scattering densities with positive and negative values. It is shown that the method can be applied to reconstructions of difference electron densities of ...

International Union of Crystallography2011

Non-equilibrium phonon dynamics studied by grazing-incidence femtosecond X-ray crystallography

The timescales for structural changes in a single crystal of bismuth after excitation with an intense near-infrared laser pulse are studied with femtosecond pump-probe X-ray diffraction. Changes in the intensity and reciprocal-lattice vector of several ref ...

International Union of Crystallography2010

Synchrotron X-ray diffraction study on a single nanowire of PX-phase lead titanate

Nava Setter, Silviu Cosmin Sandu, Jin Wang

Synchrotron X-ray diffraction (XRD) measurements of Pb-Ti-O fine acicular crystals (nanowires) of the so-called PX-phase have been performed. The theta-2 theta patterns of the nanowires dispersed on substrates with two different geometries indicated that t ...

2010

Glide of dislocations in non-octahedral planes of fcc metals: a review

In spite of frequent observations, and of sonic important consequences for industrial applications, the glide motion of dislocations in non-octahedral planes of fcc metals and alloys remains rather poorly known, and not sufficiently considered for the anal ...

2009

Orientation selection in dendritic evolution

Michel Rappaz, Frédéric Claude Denis Dreyer

Computational and experimental demonstration of dendritic crystal growth direction and the morphologic diversity of the resulting dendritic structures are discussed. The primary dendrite growth directions can vary continuously between different crystallogr ...

2008

Related publications (27)