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20112018
most citedPrediction of semi-metallic tetragonal Hf2O3 and Zr2O3 from first-principles

90 citations · 158 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mtrl-sci2018★ 18 cited

Charge spill-out and work function of few-layer graphene on SiC(0001)

O. Renault, A. M. Pascon, H. Rotella +7

We report on the charge spill-out and work function of epitaxial few-layer graphene on 6H-SiC(0001). Experiments from high-resolution, energy-filtered X-ray photoelectron emission…

cond-mat.mtrl-sci2016

Interpretation of monoclinic hafnia valence electron energy loss spectra by TDDFT

Linda Hung, Cyril Guedj, Nicolas Bernier +3

We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m-HfO) obtained from time-dependent density-functional theory (TDDFT) pre…

cond-mat.mtrl-sci2015★ 2 cited

Structural Properties and Thermodynamics of Hafnium sub-oxides in RRAM

Philippe Blaise, Boubacar Traore

We study the structural and electronic properties of various hafnium sub-oxides HfzO from z = 9 to z = 0.5, by ab initio simulation using Density Functional Theory. The stability o…

cond-mat.mtrl-sci2014★ 21 cited

Evidence for anisotropic dielectric properties of monoclinic hafnia using high-resolution TEM valence electron energy-loss spectroscopy and ab initio time-dependent density-functional theory

Cyril Guedj, Linda Hung, Alberto Zobelli +3

The effect of nanocrystal orientation on the energy loss spectra of monoclinic hafnia (m-HfO) is measured by high resolution transmission electron microscopy (HRTEM) and valenc…

cond-mat.mtrl-sci2012★ 90 cited

Prediction of semi-metallic tetragonal Hf2O3 and Zr2O3 from first-principles

Kan-Hao Xue, Philippe Blaise, Leonardo R. C. Fonseca +1

A tetragonal phase is predicted for Hf2O3 and Zr2O3 using density functional theory. Starting from atomic and unit cell relaxations of substoichiometric monoclinic HfO2 and ZrO2, s…

cond-mat.mtrl-sci2011★ 27 cited

Ab initio calculation of Effective Work Functions for a TiN/HfO2/SiO2/Si transistor stack

Pierre-Yves Prodhomme, Fabien Fontaine-Vive, Abraam vand Der Geest +2

Ab initio techniques are used to calculate the effective work function (Weff) of a TiN/HfO2/SiO2/Si stack representing a metal-oxide-semiconductor (MOS) transistor gate taking into…