X. Gonze

collaborators

2 papers

cond-mat.mtrl-sci2026

Implementation of rotational invariance for first-principles phonons and application to low-dimensional materials

Benoit Van Troeye, Xavier Gonze, Geoffrey Pourtois

The acoustic flexural (phonon) modes of low-dimensional materials should show a quadratic dispersion close to the Brillouin zone center. Any departure from this behavior in Density…

cond-mat.mtrl-sci2026

Micro-environment of the Eu interstitial in $I^^{2}$ -SiAlON:Eu $^{2 +}$ green phosphor

The precise atomic-scale structure around Eu $^{2 +}$ activators in the $I^^{2}$ -Si $_{6 - z}$ Al $_{z}$ O $_{z}$ N $_{8 - z}$ :Eu $^{2 +}$ commercial green phosphor remains elusive. We use the first-prin…

Implementation of rotational invariance for first-principles phonons and application to low-dimensional materials

Micro-environment of the Eu interstitial in I^2-SiAlON:Eu2+ green phosphor

Micro-environment of the Eu interstitial in $I^^{2}$ -SiAlON:Eu $^{2 +}$ green phosphor