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19932026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2002 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci2002★ 42 cited

Anomalous thickness dependence of the Hall effect in ultrathin Pb layers on Si(111)

I. Vilfan, M. Henzler, O. Pfennigstorf +1

The magnetoconductive properties of ultrathin Pb films deposited on Si(111) are measured and compared with density-functional electronic band-structure calculations on two-dimensio…

cond-mat.mtrl-sci2002★ 71 cited

From the bulk to monatomic wires: An ab-initio study of magnetism in Co systems with various dimensionality

Matej Komelj, Claude Ederer, James W. Davenport +1

A systematic ab-initio study within the framework of the local-spin-density approximation including spin-orbit coupling and an orbital-polarization term is performed for the spin a…

cond-mat.mtrl-sci2002★ 18 cited

A new view of the spin echo diffusive diffraction on porous structures

Janez Stepisnik

Analysis with the characteristic functional of stochastic motion is used for the gradient spin echo measurement of restricted motion to clarify details of the diffraction-like effe…

cond-mat.mtrl-sci2002

NMR comparative study of PbMg_1/3Nb_2/3O_3 and PbSc_1/2Nb_1/2O_3 local structure

V. V. Laguta, M. D. Glinchuk, I. P. Bykov +3

The 93Nb and 45Sc NMR spectra in PbSc_1/2Nb_1/2O_3 (PSN) and PbMg_1/3Nb_2/3O_3 (PMN) disordered relaxor ferroelectrics at the temperature T > T_0 (T_0 is the temperature of the die…

cond-mat.mtrl-sci2002★ 18 cited

Structure determination of the (3sqrt{3}x3sqrt{3}) reconstructed alpha-Al_2O_3(0001)

Igor Vilfan, Thierry Deutsch, Frederic Lancon +1

Grazing-incidence X-ray diffraction data are combined with energy-minimization calculations to analyse the atomic structure of the Al-rich (3sqrt{3} x 3sqrt{3})R 30 deg reconstruct…