142 citations
- Centre National de la Recherche ScientifiqueFR9 papers
- Taras Shevchenko National University of KyivUA9 papers
- Bogolyubov Institute for Theoretical PhysicsUA7 papers
- University of StuttgartDE6 papers
- Laboratoire Kastler BrosselFR5 papers
- Friedrich-Alexander-Universität Erlangen-NürnbergDE4 papers
- Heinrich Heine University DüsseldorfDE4 papers
- Sorbonne UniversitéFR4 papers
- University of GlasgowGB4 papers
- University of KonstanzDE4 papers
- Charité - Universitätsmedizin BerlinDE3 papers
- Institute of MagnetismUA3 papers
11 papers · 1 filter
Crystal structure of synthetic Mg3Cr2Si3O12, the high-pressure Cr end-member of the knorringite-pyrope garnet series
Amélie Juhin, Guillaume Morin, Eric Elkaim +3
Knorringite, the Cr-end-member of the pyrope garnet series (Nixon et al. 1968), often occur in high proportions in kimberlite garnets and is thus used for tracing high-pressure dee…
Nature and distribution of iron sites in a sodium silicate glass investigated by neutron diffraction and EPSR simulation
Coralie Weigel, L. Cormier, Georges Calas +2
The short and medium range structure of a NaFeSi2O6 (NFS) glass has been investigated by high-resolution neutron diffraction with Fe isotopic substitution, combined with Empirical…
Nonempirical Density Functionals Investigated for Jellium: Spin-Polarized Surfaces, Spherical Clusters, and Bulk Linear Response
Jianmin Tao, John P. Perdew, Luis Miguel Almeida +2
Earlier tests show that the Tao-Perdew-Staroverov-Scuseria (TPSS) nonempirical meta-generalized gradient approximation (meta-GGA) for the exchange-correlation energy yields more ac…
Fractal Substructure of a Nanopowder
Thomas Schwager, Dietrich E. Wolf, Thorsten Poeschel
The structural evolution of a nano-powder by repeated dispersion and settling can lead to characteristic fractal substructures. This is shown by numerical simulations of a two-dime…
Use of resonance Raman spectroscopy to study the phase diagram of PbZr0.52Ti0.48O3
Jerome Rouquette, Julien Haines, Véronique Bornand +3
Evidence is presented for the first time that the sharp and continuous spectral changes observed in PbZr0.52Ti0.48O3 (PZT) between 350 and 10 K with the 647.1 nm wavelength are due…
Prediction of polar ordered oxynitride perovskites
Razvan Caracas, R. E. Cohen
Using a materials by design approach, the authors find a class of ordered oxynitride piezoelectrics with perovskite structure. They predict that ordered YSiO2N and YGeO2N are chara…