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Concept

Jellium

Related publications (29)

A new class of non-empirical explicit density functionals on the third rung of Jacob’s ladder

Anne-Clémence Corminboeuf, Piotr De Silva

We construct an orbital-free non-empirical meta-generalized gradient approximation (GGA) functional, which depends explicitly on density through the density overlap regions indicator [P. de Silva and C. Corminboeuf, J. Chem. Theory Comput. 10, 3745 (2014)] ...

American Institute of Physics2015

Modeling Ferro- and Antiferromagnetic Interactions in Metal-Organic Coordination Networks

Klaus Kern, Sebastian Stepanow, Christopher Seiji Kley

Magnetization curves of two rectangular metalorganic coordination networks formed by the organic ligand TCNQ (7,7,8,8-tetracyanoquinodimethane) and two different (Mn and Ni) 3d transition metal atoms [M(3d)] show marked differences that are explained using ...

Amer Chemical Soc2015

Electron mobility extraction in triangular gate-all-around Si nanowire junctionless nMOSFETs with cross-section down to 5 nm

Mihai Adrian Ionescu, Jean-Michel Sallese, Wladyslaw Grabinski, Mohammad Najmzadeh, Matthieu Berthomé

In this paper, we report the first systematic study on electron mobility extraction in equilateral triangular gate-all-around Si nanowire junctionless nMOSFETs with cross-section down to 5 nm. 1 x 10(19) cm(-3) n-type channel doping, 5-20 nm Si nanowire wi ...

Pergamon-Elsevier Science Ltd2014

Simultaneous Visualization of Covalent and Non-Covalent Interactions Using Regions of Density Overlap

Anne-Clémence Corminboeuf, Piotr De Silva

We introduce a density-dependent bonding descriptor that enables simultaneous visualization of both covalent and noncovalent interactions. The proposed quantity is tailored to reveal the regions of space, where the total electron density results from a str ...

Amer Chemical Soc2014

The nature of the quasiparticles in two benchmark transition metal oxides : a spectroscopic study of anatase TiO₂ and tetragonal CuO

Simon Karl Moser

Transition metal oxides (TMOs) are emerging strong players in many domains, ranging from superconductivity, to microelectronics to spintronics to light harvesting for photovoltaics. Beyond their non-toxicity, low corrosiveness and low price, they exhibit a ...

EPFL2014

Two-dimensional short-range interacting attractive and repulsive Fermi gases at zero temperature

Gianluca Bertaina

We study a two-dimensional two-component Fermi gas with attractive or repulsive short-range interactions at zero temperature. We use Diffusion Monte Carlo with Fixed Node approximation in order to calculate the energy per particle and the opposite spin pai ...

Springer2013

Free-electron gas at charged domain walls in insulating BaTiO3

Alexander Tagantsev, Nava Setter, Tomas Sluka, Petr Bednyakov

Hetero interfaces between metal-oxides display pronounced phenomena such as semiconductor-metal transitions, magnetoresistance, the quantum hall effect and superconductivity. Similar effects at compositionally homogeneous interfaces including ferroic domai ...

Nature Publishing Group2013

Dynamic structure factors of Cu, Ag, and Au: Comparative study from first principles

Cécile Hébert, Audrius Alkauskas, Simon Schneider

We present a comparative theoretical and experimental study of dynamic structure factors (momentum-dependent loss functions) of the noble metals Cu, Ag, and Au in the energy range of 0-60 eV. The emphasis is on theoretical results that are compared with ne ...

Amer Physical Soc2013

Mobility Extraction Assessment in GAA Si NW JL FETs with Cross-Section Down to 5 nm

Mihai Adrian Ionescu, Jean-Michel Sallese, Wladyslaw Grabinski, Mohammad Najmzadeh, Matthieu Berthomé

In this paper, we report for the first time, assessment on mobility extraction in equilateral triangular gate-all-around Si nanowire junctionless (JL) nMOSFETs with cross-section down to 5 nm. This analysis was performed in accumulation regime, as a first ...

IEEE2013