English

Chemical order in Ge-Ga-Sb-Se glasses

Materials Science 2018-02-07 v1 Disordered Systems and Neural Networks Chemical Physics

Abstract

The short range order in Ge30_{30}Ga5_{5}Sb10_{10}Se55_{55} and Ge21_{21}Ga5_{5}Sb10_{10}Se64_{64} glasses was investigated by X-ray (XRD) and neutron diffraction (ND) as well as extended X-ray absorption fine structure (EXAFS) measurements at the Ge, Ga, Sb and Se K-edges. Large scale structural models were obtained by fitting simultaneously the experimental data sets by reverse Monte Carlo (RMC) simulation technique. It was found that Ge, Sb and Se atoms follow the Mott-rule and have 4, 3 and 2 nearest neighbors, respectively. The average coordination number of the Ga atoms was around 4. The structure of these glasses can be described by the chemically ordered network model: the Ge-Se, Ga-Se and Sb-Se bonds are the most prominent while Ge-Ge and Ge-Sb bonds are formed only in Se-poor compositions. Models generated by RMC contained some long distances (0.3-0.4 {\AA} higher than the usual covalent bond lengths) between Ge-Se and/or Ge-Ge pairs. Dedicated simulation runs confirm the existence of these bonds.

Keywords

Cite

@article{arxiv.1801.02855,
  title  = {Chemical order in Ge-Ga-Sb-Se glasses},
  author = {Ildikó Pethes and Radwan Chahal and Virginie Nazabal and Carmelo Prestipino and Stefan Michalik and Jacques Darpentigny and Pál Jóvári},
  journal= {arXiv preprint arXiv:1801.02855},
  year   = {2018}
}

Comments

20 pages, 5 figures, submitted to Journal of Non-Crystalline Solids