output
20022011
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2007 · cond-mat.mtrl-sciShow all

11 papers · 2 filters

cond-mat.mtrl-sci2007220 cited

Raman imaging of doping domains in graphene on SiO2

C. Stampfer, L. Wirtz, A. Jungen +4

We present spatially resolved Raman images of the G and 2D lines of single-layer graphene flakes. The spatial fluctuations of G and 2D lines are correlated and are thus shown to be…

cond-mat.mtrl-sci20071 cited

^{63,65}Cu NMR and NQR evidence for an unusual spin dynamics in PrCu_2 below 100 K

A. Sacchetti, M. Weller, J. L. Gavilano +7

We report the results of a Cu NMR/NQR study probing the intermetallic compound PrCu. The previously claimed onset of magnetic order at 65 K, indicated in a SR stud…

cond-mat.mtrl-sci200716 cited

Crystal and magnetic structures of the spin-trimer compounds Ca3 Cu3xNix (PO4)4 (x=0,1,2)

V. Yu. Pomjakushin, A. Furrer, D. V. Sheptyakov +2

Crystal and magnetic structures of a series of novel quantum spin trimer system Ca3Cu3xNix(PO4)4 (x=0,1,2) were studied by neutron powder diffraction at the temperatures 1.5-290 K.…

cond-mat.mtrl-sci2007406 cited

Coexistence of tetrahedral and octahedral-like sites in amorphous phase change materials

S. Caravati, M. Bernasconi, T. D. Kuehne +2

Chalcogenide alloys are materials of interest for optical recording and non-volatile memories. We perform ab-initio molecular dynamics simulations aiming at shading light onto the…

cond-mat.mtrl-sci200711 cited

Deposition of Atoms on a Quasicrystalline Substrate: Molecular-Dynamics Study in 3 Dimensions

Muhittin Mungan, Yves Weisskopf, Mehmet Erbudak

We study the three-dimensional structure formation when atoms are deposited onto a substrate with a decagonal quasicrystalline order. Molecular-dynamicscalculations show that the a…

cond-mat.mtrl-sci200764 cited

High charge-carrier mobility and low trap density in a rubrene derivative

S. Haas, A. F. Stassen, G. Schuck +5

We have synthesized, crystallized and studied the structural and electric transport properties of organic molecular crystals based on a rubrene derivative with {\em t}-butyl sidegr…