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

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cond-mat.mtrl-sci2017★ 18 cited

Switching from pyroelectric to ferroelectric order in Ni doped CaBaCo4O7

C. Dhanasekhar, A. K Das, Ripandeep Singh +4

We report ferroelectric ordering in Ni substituted CaBaCo4O7. Magnetization showed ferrimagnetic transition at 60 K and an additional transition is found ~ 82 K, further, enhanced…

cond-mat.mtrl-sci2012★ 52 cited

Experimental evidence of above-threshold photoemission in solids

Francesco Banfi, Claudio Giannetti, Gabriele Ferrini +4

Nonlinear photoemission from a silver single crystal is investigated by femtosecond laser pulses in a perturbative regime. A clear observation of above-threshold photoemission in s…

cond-mat.mtrl-sci2012★ 14 cited

Evidence of vectorial photoelectric effect on Copper

Emanuele Pedersoli, Francesco Banfi, Barbara Ressel +7

Quantum Efficiency (QE) measurements of single photon photoemission from a Cu(111) single crystal and a Cu polycrystal photocathodes, irradiated by 150 fs-6.28 eV laser pulses, are…

cond-mat.mtrl-sci2009★ 153 cited

Exchange bias driven by the Dzyaloshinskii-Moriya interaction and ferroelectric polarization at G-type antiferromagnetic perovskite interfaces

Shuai Dong, Kunihiko Yamauchi, Seiji Yunoki +6

Exchange bias is usually rationalized invoking spin pinning effects caused by uncompensated antiferromagnetic interfaces. However, for compensated antiferromagnets other extrinsic…

cond-mat.mtrl-sci2009★ 64 cited

First-principles study of the dipole layer formation at metal-organic interfaces

Paul C. Rusu, Gianluca Giovannetti, Christ Weijtens +2

We study the dipole layer formed at metal-organic interfaces by means of first-principles calculations. Interface dipoles are monitored by calculating the work function change of A…

cond-mat.mtrl-sci2009★ 27 cited

Magnetic anisotropy in Li-phosphates and origin of magnetoelectricity in LiNiPO4

Kunihiko Yamauchi, Silvia Picozzi

Li-based phosphates are paradigmatic materials for magnetoelectricity. By means of first-principles calculations, we elucidate the microscopic origin of spin anisotropy and of magn…

cond-mat.mtrl-sci2009★ 102 cited

Evidence for multiferroicity in TTF-CA organic molecular crystals

Gianluca Giovannetti, Sanjeev Kumar, Alessandro Stroppa +2

We show by means of ab-initio calculations that the organic molecular crystal TTF-CA is multiferroic: it has an instability to develop spontaneously both ferroelectric and magnetic…

cond-mat.mtrl-sci2009★ 107 cited

Ferroelectricity in multiferroic magnetite Fe3O4 driven by noncentrosymmetric Fe2+/Fe3+ charge-ordering: First-principles study

Kunihiko Yamauchi, Tetsuya Fukushima, Silvia Picozzi

By means of first-principles simulations, we unambiguously show that improper ferroelectricity in magnetite in the low-temperature insulating phase is driven by charge-ordering. An…

cond-mat.mtrl-sci2009★ 187 cited

First Principles Studies of Multiferroic Materials

Silvia Picozzi, Claude Ederer

Multiferroics, materials where spontaneous long-range magnetic and dipolar orders coexist, represent an attractive class of compounds, which combine rich and fascinating fundamenta…

cond-mat.mtrl-sci2008★ 67 cited

Magnetically induced electronic ferroelectricity in half-doped manganites

Gianluca Giovannetti, Sanjeev Kumar, Jeroen van den Brink +1

Using a joint approach of density functional theory and model calculations, we demonstrate that a prototypical charge ordered half-doped manganite, LaCaMnO is m…

cond-mat.mtrl-sci2008★ 73 cited

Field emission from single multi-wall carbon nanotubes

M. Passacantando, F. Bussolotti, S. Santucci +4

Electron field emission characteristics of individual multiwalled carbon nanotubes have been investigated by a piezoelectric nanomanipulation system operating inside a scanning ele…

cond-mat.mtrl-sci2007★ 32 cited

Magneto-optical properties of (Ga,Mn)As: an ab--initio determination

A. Stroppa, S. Picozzi, A. Continenza +2

The magneto-optical properties of (Ga,Mn)As have been determined within density functional theory using the highly precise full-potential linear augmented plane wave (FLAPW) method…

cond-mat.mtrl-sci2007★ 107 cited

Interface effects at a half-metal/ferroelectric junction

Kunihiko Yamauchi, Biplab Sanyal, Silvia Picozzi

Magnetoelectric effects are investigated ab-initio at the interface between half-metallic and ferroelectric prototypes: Heusler CoMnSi and perovskite BaTiO. For the Co-term…

cond-mat.mtrl-sci2007★ 23 cited

Optical and magneto-optical properties of ferromagnetic full-Heusler films: experiments and first-principles calculations

F. Ricci, S. Picozzi, A. Continenza +5

We report a joint theoretical and experimental study focused on understanding the optical and magneto-optical properties of Co-based full-Heusler compounds. We show that magneto-op…

cond-mat.mtrl-sci2007★ 313 cited

Dual nature of improper ferroelectricity in a magnetoelectric multiferroic

Silvia Picozzi, Kunihiko Yamauchi, Biplab Sanyal +2

Using first principles calculations, we study the microscopic origin of ferroelectricity (FE) induced by magnetic order in the orthorhombic HoMnO3. We obtain the largest ferroelect…

cond-mat.mtrl-sci2007★ 39 cited

Role of the electric field in surface electron dynamics above the vacuum level

J. I. Pascual, C. Corriol, G. Ceballos +6

Scanning tunneling spectroscopy (STS) is used to study the dynamics of hot electrons trapped on a Cu(100) surface in field emission resonances (FER) above the vacuum level. Differe…

cond-mat.mtrl-sci2007★ 92 cited

A local field emission study of partially aligned carbon-nanotubes by AFM probe

A. Di Bartolomeo, A. Scarfato, F. Giubileo +5

We report on the application of Atomic Force Microscopy (AFM) for studying the Field Emission (FE) properties of a dense array of long and vertically quasi-aligned multi-walled car…

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…