Glassy and liquid Sb 2 S 3: insight into the structure and dynamics of a promising functional material

M Kassem, CJ Benmore, A Tverjanovich… - Journal of Materials …, 2023 - pubs.rsc.org
Antimony sesquisulfide Sb2S3 has become an outstanding advanced functional material in
a variety of rapidly growing application fields: smart integrated photonics from the visible to …

Unraveling the atomic structure of bulk binary Ga–Te glasses with surprising nanotectonic features for phase-change memory applications

M Bokova, A Tverjanovich, CJ Benmore… - … Applied Materials & …, 2021 - ACS Publications
Binary Ge–Te and ternary Ge–Sb–Te systems belong to flagship phase-change materials
(PCMs) and are used in nonvolatile memory applications and neuromorphic computing. The …

Device‐to‐materials pathway for electron traps detection in amorphous GeSe‐based selectors

A Slassi, LS Medondjio, A Padovani… - Advanced Electronic …, 2023 - Wiley Online Library
The choice of the ideal material employed in selector devices is a tough task both from the
theoretical and experimental side, especially due to the lack of a synergistic approach …

Deciphering fast ion transport in glasses: a case study of sodium and silver vitreous sulfides

M Kassem, T Bounazef, A Sokolov, M Bokova… - Inorganic …, 2022 - ACS Publications
High-capacity solid-state batteries are promising future products for large-scale energy
storage and conversion. Sodium fast ion conductors including glasses and glass ceramics …

Atypical phase-change alloy Ga 2 Te 3: atomic structure, incipient nanotectonic nuclei, and multilevel writing

A Tverjanovich, M Khomenko, CJ Benmore… - Journal of Materials …, 2021 - pubs.rsc.org
Emerging brain-inspired computing, including artificial optical synapses, photonic tensor
cores, neuromorphic networks, etc., needs phase-change materials (PCMs) of the next …

Towards accurate models for amorphous GeTe: Crucial effect of dispersive van der Waals corrections on the structural properties involved in the phase-change …

M Micoulaut, A Piarristeguy, H Flores-Ruiz, A Pradel - Physical Review B, 2017 - APS
The effect of van der Waals dispersion correction in combination with density functional
theory is investigated on a canonical amorphous phase-change material. Density functional …

Structural, electronic and kinetic properties of the phase-change material Ge2Sb2Te5 in the liquid state

M Schumacher, H Weber, P Jóvári, Y Tsuchiya… - Scientific reports, 2016 - nature.com
Phase-change materials exhibit fast and reversible transitions between an amorphous and a
crystalline state at high temperature. The two states display resistivity contrast, which is …

Bulk Glassy GeTe2: A Missing Member of the Tetrahedral GeX2 Family and a Precursor for the Next Generation of Phase-Change Materials

A Tverjanovich, M Khomenko, CJ Benmore… - Chemistry of …, 2021 - ACS Publications
Vitreous germanium disulfide GeS2 and diselenide GeSe2 belong to canonical
chalcogenide glasses extensively studied over the past half century. Their high-temperature …

Quantitative assessment of network depolymerization in archetypal superionic glasses and its relationship with ion conduction: A case study on

M Micoulaut, A Piarristeguy, O Masson, LM Poitras… - Physical Review B, 2023 - APS
The properties of x Na 2 S-(100-x) GeS 2 glasses, which represent promising systems for all-
solid-state batteries, are thoroughly investigated from a variety of experimental and …

Structure of amorphous revisited: A hybrid functional ab initio molecular dynamics study

R Raghvender, A Bouzid, S Cadars, D Hamani… - Physical Review B, 2022 - APS
The atomic-scale structure of glassy TeO 2 has been the subject of a longstanding debate.
We resort to first-principles molecular dynamics with a careful choice of the exchange and …