Raman Scattering, Thermal studies and Reverse Monte Carlo Simulations of an Amorphous Ge$_{30}$Se$_{70}$ Alloy Produced by Mechanical Alloying

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dc.creatorMachado, K. D.
dc.creatorde Lima, J. C.
dc.creatorCampos, C. E. M.
dc.creatorPizani, P. S.
dc.creatorGrandi, T. A.
dc.date2003-04-29
dc.date2003-07-16
dc.date.accessioned2026-07-07T02:51:04Z
dc.date.available2026-07-07T02:51:04Z
dc.descriptionThe short and intermediate range order of an amorphous Ge$_{30}$Se$_{70}$ alloy produced by Mechanical Alloying were studied by Reverse Monte Carlo simulations of its x-ray total structure factor, Raman scattering and differential scanning calorimetry. The simulations were used to compute the $G^{\text{RMC}}_{\text{Ge-Ge}}(r)$, $G^{\text{RMC}}_{\text{Ge-Se}}(r)$ and $G^{\text{RMC}}_{\text{Se-Se}}(r)$ partial distribution functions and the ${\cal S}^{\text{RMC}}_{\text{Ge-Ge}}(K)$, ${\cal S}^{\text{RMC}}_{\text{Ge-Se}}(K)$ and ${\cal S}^{\text{RMC}}_{\text{Se-Se}}(K)$ partial structure factors. We calculated the coordination numbers and interatomic distances for the first and second neighbors and the bond-angle distribution functions $Θ_{ijl}(\cosθ)$. The data obtained indicate that the structure of the alloy has important differences when compared to alloys prepared by other techniques. There are a high number of Se-Se pairs in the first shell, and some of the tetrahedral units formed seemed to be connected by Se-Se bridges.
dc.description8 pages, 8 figures, submitted to J Chem Phys
dc.identifierhttps://arxiv.org/abs/cond-mat/0304665
dc.identifierhttp://arxiv.org/abs/cond-mat/0304665
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/21320
dc.subjectMaterials Science
dc.titleRaman Scattering, Thermal studies and Reverse Monte Carlo Simulations of an Amorphous Ge$_{30}$Se$_{70}$ Alloy Produced by Mechanical Alloying
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