研究目的
Investigating the structure of Ge22Ga3Sb10S65 and Ge15Ga10Sb10S65 glasses using neutron diffraction, X-ray diffraction, and extended X-ray absorption fine structure measurements to understand their short range order parameters and local environments.
研究成果
The structure of the examined glasses can be described by the chemically ordered network model: Ge-S, Ga-S, and Sb-S bonds are the most preferred. The typical bond lengths are 2.22 ? for Ge-S, 2.28 ? for Ga-S, and 2.44 ? for Sb-S pairs, but some longer distances, most probably Sb-S pairs, in the 2.6–3 ? region were also observed.
研究不足
The study is limited by the sensitivity of the method to detect bond types with coordination numbers higher than 0.3–0.4. The presence of other bond types did not improve the quality of the fits, indicating potential limitations in detecting minor bond types.
1:Experimental Design and Method Selection:
The study employed neutron diffraction (ND), X-ray diffraction (XRD), and extended X-ray absorption fine structure (EXAFS) measurements at the Ge, Ga, and Sb K-edges. The reverse Monte Carlo (RMC) simulation technique was used to fit the experimental data sets simultaneously.
2:Sample Selection and Data Sources:
Samples were prepared by conventional melt quenching using high purity raw materials. The densities of the samples were determined using a Mettler Toledo XS64 system.
3:List of Experimental Equipment and Materials:
Neutron diffraction experiments were carried out at the 7C2 diffractometer of LLB (Saclay, France). XRD structure factors were measured at the beamline P07 of the Petra III source (Hamburg, Germany). EXAFS measurements at the Ge, Ga, and Sb K-edges were carried out at HASYLAB (beamline X).
4:Experimental Procedures and Operational Workflow:
Powdered samples were filled into thin walled vanadium containers for ND experiments. Corrected ND and XRD structure factors were obtained by integrating 2D counts and correcting for background, absorption, detector efficiency, and multiple scattering.
5:Data Analysis Methods:
The experimental data sets were fitted simultaneously by the RMC++ code. The EXAFS backscattering coefficients were calculated by the FEFF8.4 program.
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