Structural, dynamic, electronic, and vibrational properties of flexible, intermediate, and stressed rigid As-Se glasses and liquids from first principles molecular …

M Bauchy, A Kachmar, M Micoulaut - The Journal of chemical physics, 2014 - pubs.aip.org
The structural, vibrational, electronic, and dynamic properties of amorphous and liquid As x
Se 1-x (0.10< x< 0.45) are studied by First Principles Molecular Dynamics. Within the above …

Effect of preparation conditions on the structure of As-Se glasses: Reverse Monte Carlo simulation

AF Elhady, M Dongol, E Toliba, MS Ebied - Materials Today …, 2023 - Elsevier
As an extension to part I, Dongol and Elhady (2020), the method of Reverse Monte Carlo
simulation has been used to examine the effect of quenching rate on the structure of glassy …

Structure of As2Se3 and AsSe network glasses: Evidence for coordination defects and homopolar bonding

M Bauchy, M Micoulaut - Journal of non-crystalline solids, 2013 - Elsevier
The structural properties of As 2 Se 3 and AsSe 4 glasses are investigated using the First
Principles Molecular Dynamics. The results show an excellent agreement with measured …

The local structure of AsSeS chalcogenide glasses studied by neutron diffraction and Raman scattering

RI Alekberov, SI Mekhtiyeva, AI Isayev… - Journal of Non-Crystalline …, 2017 - Elsevier
The local structures of amorphous As 40 Se 60, As 40 Se 30 S 30, As 33.3 Se 33.3 S 33.4
chalcogenide glass semiconductors have been studied by neutron diffraction and Raman …

Short‐Range Order in Ge–As–Te Glasses

P Jóvári, P Lucas, Z Yang, B Bureau… - Journal of the …, 2014 - Wiley Online Library
The structure of Te‐rich (75–80 at.% Te) and Te‐poor (40 at.% Te) Ge–As–Te glasses has
been investigated by diffraction and extended X‐ray absorption fine structure (EXAFS) …

Does the 8-N bonding rule break down in As2Se3 glass?

S Hosokawa, A Koura, JF Bérar, WC Pilgrim… - Europhysics …, 2013 - iopscience.iop.org
The coordination numbers in As 2 Se 3 glass were determined by a combination of
anomalous X-ray scattering experiments, reverse Monte Carlo modeling, and ab initio …

Investigation of the Atomic Structure of Ge‐Sb‐Se Chalcogenide Glasses

M Fabian, N Dulgheru, K Antonova… - … in Condensed Matter …, 2018 - Wiley Online Library
Glasses with composition of GexSb40-xSe60 (x= 40, 35, 32, 27, 20, 15 at.%) have been
synthesized. Neutron and X‐ray diffraction techniques were used to study the atomic glassy …

Topological constraints, rigidity transitions, and anomalies in molecular networks

M Micoulaut, M Bauchy, H Flores-Ruiz - Molecular Dynamics Simulations …, 2015 - Springer
In this chapter, we present the first connection between realistic atomic scale simulations
and topological constraint theory which has been introduced in the context of rigidity …

Local structures and optical properties of As-Se-Te (S) chalcogenide glasses

RI Alekberov, AI Isayev, SI Mekhtiyeva… - Physica B: Condensed …, 2018 - Elsevier
The partial, total and average coordination number of atoms and, their neighbor distributions
have been determined by the neutron diffraction method and application of the Reverse …

[PDF][PDF] Structure of chalcogenide glasses in As-S-Se system investigated by Raman spectroscopy and first principle calculation

X Han, H Tao, L Gong, J Han, S Gu - Chalcogenide Lett, 2014 - chalcogen.ro
Chalcogenide glasses and their function in a wide range of optical, electronic and memory
applications, have proved a very fertile field of experimental and theoretical research over …