L. Fonseca

activity

20122018

most citedImproved self-energy correction method for accurate and efficient band structure calculation

124 citations · 256 across the 5 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

3 papers · 1 filter

cond-mat.mtrl-sci2018★ 22 cited

Ab initio simulation of $T a_{2} O_{5}$ : A high symmetry ground state phase with application to interface calculation

Jun-Hui Yuan, Kan-Hao Xue, Qi Chen +2

We suggest a tetragonal $I 4_{1} / am d$ phase ( $η$ -phase) as the ground state of $T a_{2} O_{5}$ at zero temperature, which is a high symmetry version of the triclinic $γ$ -phase $\ma…

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-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…

Ab initio simulation of Ta2​O5​: A high symmetry ground state phase with application to interface calculation

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

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

Ab initio simulation of $T a_{2} O_{5}$ : A high symmetry ground state phase with application to interface calculation