output
19942026
most citedPhonons and related properties of extended systems from density-functional perturbation theory

10.1k citations

Showing 2005 · cond-mat.mtrl-sciShow all

7 papers · 2 filters

cond-mat.mtrl-sci2005★ 39 cited

Physics of Solid and Liquid Alkali Halide Surfaces Near the Melting Point

T. Zykova-Timan, D. Ceresoli, U. Tartaglino +1

This paper presents a broad theoretical and simulation study of the high temperature behavior of crystalline alkali halide surfaces typified by NaCl(100), of the liquid NaCl surfac…

cond-mat.mtrl-sci2005

Electron spin echo relaxation and envelope modulation of phosphorus shallow donors in silicon

A. Ferretti, M. Fanciulli, A. Ponti +1

Spins of single donor atoms are attractive candidates for large scale quantum information processing in silicon, since quantum computation can be realized through the manipulation…

cond-mat.mtrl-sci2005★ 47 cited

Unusual polymerization in the Li4C60 fulleride

M. Ricco, T. Shiroka, M. Belli +6

Li4C60, one of the best representatives of lithium intercalated fullerides, features a novel type of 2D polymerization. Extensive investigations, including laboratory x-ray and syn…

cond-mat.mtrl-sci2005★ 71 cited

Quantum-transport theory for semiconductor nanostructures: A density-matrix formulation

Rita Claudia Iotti, Emanuele Ciancio, Fausto Rossi

A general density-matrix formulation of quantum-transport phenomena in semiconductor nanostructures is presented. More specifically, contrary to the conventional single-particle co…

cond-mat.mtrl-sci2005★ 390 cited

Excitons in boron nitride nanotubes: dimensionality effects

Ludger Wirtz, Andrea Marini, Angel Rubio

We show that the optical absorption spectra of boron nitride (BN) nanotubes are dominated by strongly bound excitons. Our first-principles calculations indicate that the binding en…

cond-mat.mtrl-sci2005★ 9 cited

Nd:YAG laser induced E' centers probed by in situ absorption measurements

M. Cannas, F. Messina

We investigated various types of commercial silica irradiated with a pulsed Nd:YAG laser radiation (4.66 eV), with exposure time ranging up to 10000 s. Transient E' centers were pr…

cond-mat.mtrl-sci2005★ 4 cited

Nucleation and step-edge barriers always destabilize step-flow growth of a vicinal surface

Daniele Vilone, Claudio Castellano, Paolo Politi

We consider the effect of nucleation on a one-dimensional stepped surface, finding that step-flow growth is metastable for any strength of the additional step-edge barrier. The sur…