X. Gonze

collaborators

3 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 $β$ -SiAlON:Eu $^{2 +}$ green phosphor

Julien Bouquiaux, Samuel Poncé, Yongchao Jia +2

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

cs.DL2008

Specification of an extensible and portable file format for electronic structure and crystallographic data

X. Gonze, C. -O. Almbladh, A. Cucca +6

In order to allow different software applications, in constant evolution, to interact and exchange data, flexible file formats are needed. A file format specification for different…

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

Micro-environment of the Eu interstitial in β-SiAlON:Eu2+ green phosphor

Specification of an extensible and portable file format for electronic structure and crystallographic data

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