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

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141 papers · 1 filter

cond-mat.soft2000★ 36 cited

Dynamics in a supercooled molecular liquid: Theory and Simulations

A. Rinaldi, F. Sciortino, P. Tartaglia

We report extensive simulations of liquid supercooled states for a simple three-sites molecular model, introduced by Lewis and Wahnstr"om [L. J. Lewis and G. Wahnstr"om, Phys. Rev.…

cond-mat.mtrl-sci2000★ 10.1k cited

Phonons and related properties of extended systems from density-functional perturbation theory

S. Baroni, S. de Gironcoli, A. Dal Corso +1

This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potentia…

cond-mat.dis-nn2000★ 1 cited

A macroscopically frustrated Ising model

M. Pasquini, M. Serva

A disordered spin glass model where both static and dynamical properties depend on macroscopic magnetizations is presented. These magnetizations interact via random couplings and,…

cond-mat2000★ 33 cited

Stabilization of ratchet dynamics by weak periodic signals

Maria Barbi, Mario Salerno

We study the influence of weak periodic signals on the transport properties of underdamped ratchets. We find that the constant current intervals related to the ratchet, can be sign…

astro-ph2000

On the use of a heterogeneous MIMD-SIMD platform to simulate the dynamics of globular clusters with a central massive object

R. Capuzzo-Dolcetta, N. Pucello, V. Rosato +1

The dynamics of a large stellar (globular) cluster containing N=128,000 stars has been simulated by a direct summation (O(N)) method by using a heterogeneous platform. Prelimin…

cond-mat.supr-con2000★ 116 cited

Anomalous isotopic effect near the charge-ordering quantum criticality

S. Andergassen, S. Caprara, C. Di Castro +1

Within the Hubbard-Holstein model, we evaluate the various crossover lines marking the opening of pseudogaps in the cuprates, which, in our scenario, are ruled by the proximity to…

cond-mat.str-el2000★ 26 cited

Determination of the (3x3)-Sn/Ge(111) structure by photoelectron diffraction

L. Petaccia, L. Floreano, M. Benes +6

At a coverage of about 1/3 monolayer, Sn deposited on Ge(111) below 550 forms a metastable (sqrt3 x sqrt3)R30 phase. This phase continuously and reversibly transforms into a (3x3)…

cond-mat.dis-nn2000★ 44 cited

Topological Description of the Aging Dynamics in Simple Glasses

L. Angelani, R. Di Leonardo, G. Parisi +1

We numerically investigate the aging dynamics of a monatomic Lennard-Jones glass, focusing on the topology of the potential energy landscape which, to this aim, has been partitione…

cond-mat2000★ 2 cited

Magnetic Field Effect for Two Electrons in a Two Dimensional Random Potential

Giuliano Benenti, Dima L. Shepelyansky

We study the problem of two particles with Coulomb repulsion in a two-dimensional disordered potential in the presence of a magnetic field. For the regime, when without interaction…

cond-mat.mtrl-sci2000★ 498 cited

First-principles prediction of structure, energetics, formation enthalpy, elastic constants, polarization, and piezoelectric constants of AlN, GaN, and InN: comparison of local and gradient-corrected density-functional theory

A. Zoroddu, F. Bernardini, P. Ruggerone +1

A number of diverse bulk properties of the zincblende and wurtzite III-V nitrides AlN, GaN, and InN, are predicted from first principles within density functional theory using the…

cond-mat.mtrl-sci2000★ 11 cited

Optimal design and quantum limit for second harmonic generation in semiconductor heterostructures

Guido Goldoni

The optimal design for infrared second harmonic generation (SHG) is determined for a GaAs-based quantum device using a recently developed genetic approach. Both compositional param…

cond-mat.mtrl-sci2000★ 11 cited

Optimization of semiconductor quantum devices by evolutionary search

Guido Goldoni, Fausto Rossi

A novel simulation strategy is proposed to search for semiconductor quantum devices which are optimized with respect to required performances. Based on evolutionary programming, a…

quant-ph2000★ 28 cited

Multiparticle Quantum Superposition and Stimulated Entanglement by Parity Selective Amplification of Entangled States

Francesco De Martini, Giovanni Di Giuseppe

A multiparticle quantum superposition state has been generated by a novel phase-selective parametric amplifier of an entangled two-photon state. This realization is expected to ope…

cond-mat.str-el2000

Auger spectroscopy of strongly correlated systems: present status and future trends

Claudio Verdozzi, Michele Cini, Andrea Marini

We review the Cini-Sawatzky approach to the line shape analysis of Auger CVV transitions, in its basic and original formulation. Then, several extensions of the theory are reviewed…

cond-mat.str-el2000★ 25 cited

Coordinate Representation of the Two-Spinon wavefunction and Spinon Interaction

B. A. Bernevig, D. Giuliano, R. B. Laughlin

By deriving and studying the coordinate representation for the two-spinon wavefunction, we show that spinon excitations in the Haldane-Shastry model interact. The interaction is gi…

cond-mat.mtrl-sci2000★ 209 cited

Accurate calculation of polarization-related quantities in semiconductors

F. Bernardini, V. Fiorentini, D. Vanderbilt

We demonstrate that polarization-related quantities in semiconductors can be predicted accurately from first-principles calculations using the appropriate approach to the problem,…

quant-ph2000★ 69 cited

Quantum Computation with Ballistic Electrons

Radu Ionicioiu, Gehan Amaratunga, Florin Udrea

We describe a solid state implementation of a quantum computer using ballistic single electrons as flying qubits in 1D nanowires. We show how to implement all the steps required fo…

cond-mat2000★ 40 cited

Acetylene on Si(100) from first principles: adsorption geometries, equilibrium coverages and thermal decomposition

Pier Luigi Silvestrelli, Flavio Toigo, Francesco Ancilotto

Adsorption of acetylene on Si(100) is studied from first principles. We find that, among a number of possible adsorption configurations, the lowest-energy structure is a ``bridge''…

cond-mat2000★ 26 cited

Spinon Attraction in Spin-1/2 Antiferromagnetic Chains

B. A. Bernevig, D. Giuliano, R. B. Laughlin

We derive the representation of the two-spinon wavefunction for the Haldane-Shastry model in terms of the spinon coordinates. This result allows us to rigorously analyze spinon int…

cond-mat.stat-mech2000★ 1 cited

Shell Effects and Phase Separation in a Trapped Multi-Component Fermi System

L. Salasnich, A. Parola, L. Reatto

Shell effects in the coordinate space can be seen with degenerate Fermi vapors in non-uniform trapping potentials. In particular, below the Fermi temperature, the density profile o…

cond-mat.mes-hall2000★ 373 cited

Detection of Geometric Phases in Superconducting Nanocircuits

Giuseppe Falci, Rosario Fazio, G. Massimo Palma +2

When a quantum mechanical system undergoes an adiabatic cyclic evolution it acquires a geometrical phase factor in addition to the dynamical one. This effect has been demonstrated…

cond-mat.stat-mech2000★ 29 cited

The order-disorder transition of the (3x3)Sn/Ge(111) phase

L. Floreano, D. Cvetko, G. Bavdek +2

Growing attention has been drawn in the past years to the α-phase (1/3 monolayer) of Sn on Ge(111), which undergoes a transition from the low temperature (3x3) phase to the room te…

cond-mat2000★ 510 cited

Quantum Phase Transitions and Vortex Dynamics in Superconducting Networks

Rosario Fazio, Herre van der Zant

Josephson junction arrays are ideal model systems where a variety of phenomena, phase transitions, frustration effects, vortex dynamics, chaos, to mention a few of them, can be stu…

cond-mat.mes-hall2000★ 35 cited

Distribution of resonance widths in localized tight-binding models

M. Terraneo, I. Guarneri

We numerically analyze the distribution of scattering resonance widths in one- and quasi-one dimensional tight binding models, in the localized regime. We detect and discuss an alg…