Germanium dioxide (GeO 2) is a chemical analogue of SiO 2. Furthermore, it is also to some
extent a structural analogue, as the low-and high-pressure short-range order (tetrahedral …

This review is dedicated to recent advances in the study of bismuth-doped silica-based
fibers, which are vital components for creating promising contemporary optical devices …

QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure
calculations and materials modeling, based on density-functional theory, plane waves, and …

We have investigated a series of glasses and melts along the GeO2–SiO2 join using insitu
Raman spectroscopy. The results for both the glasses and melts are consistent with a …

We present the Voronoi tessellation of electron density data to obtain molecular dipole
moments in bulk phase ab initio molecular dynamics simulations for the calculation of …

An accurate and transferable machine learning (ML) potential for the simulation of binary
sodium silicate glasses over a wide range of compositions (from 0 to 50% Na2O) was …

The pressure-driven collapse in the structure of network-forming materials will be
considered in the gigapascal (GPa) regime, where the development of in situ high-pressure …

The structural, electronic, and vibrational properties of glassy Ge x Se 1− x are studied using
density-functional-based molecular dynamics. The focus is on four compositions (x= 10 …

The application of the MD–GIPAW approach to the calculation of NMR parameters, line
widths and shapes of the spectra of oxide glasses is reviewed. Emphasis is given to the …

The full set of partial structure factors for glassy germania, or GeO 2, were accurately
measured by using the method of isotopic substitution in neutron diffraction in order to …