J. Mel'endez

activity

20152026

most citedIn2O3 doped with hydrogen: electronic structure and optical properties from the pseudopotential Self-Interaction Corrected Density Functional Theory and the Random Phase Approximation

28 citations · 49 across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2026

Optical properties of single-crystal As2Se3 from first principles

Juan J. Meléndez

Crystalline As2Se3 is a promising layered chalcogenide for mid-infrared photonics and optoelectronic applications, yet its fundamental electronic and optical properties remain deba…

cond-mat.mtrl-sci2016★ 2 cited

$z T$ -factor enhancement in SnSe: predictions from first principles calculations

Robert L. González-Romero, Alex Antonelli, Juan J. Meléndez

The electronic structure and thermoelectric properties of SnSe are studied by first-principles methods. The inclusion of van der Waals dispersive corrections improves the agreement…

cond-mat.mtrl-sci2015★ 28 cited

In2O3 doped with hydrogen: electronic structure and optical properties from the pseudopotential Self-Interaction Corrected Density Functional Theory and the Random Phase Approximation

Juan J. Meléndez, Małgorzata Wierzbowska

We discuss the applicability of the pseudopotential-like self-interaction correction (pSIC) to the study of defect energetics and electronic structure of In2O3. Our results predict…

Optical properties of single-crystal As2Se3 from first principles

zT-factor enhancement in SnSe: predictions from first principles calculations

In2O3 doped with hydrogen: electronic structure and optical properties from the pseudopotential Self-Interaction Corrected Density Functional Theory and the Random Phase Approximation

$z T$ -factor enhancement in SnSe: predictions from first principles calculations