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The local atomic structure of an amorphous NiZr2 alloy was investigated usingthe anomalous wide-angle x-ray scattering (AWAXS), differential anomalousscattering (DAS) and reverse Monte Carlo (RMC) simulations techniques. TheAWAXS measurements were performed at eight different incident photon energies,including some close to the Ni and Zr K edges. From the measurements eighttotal structure factor S(K,E) were derived. Using the AWAXS data fourdifferential structure factors DSFi(K,Em,En) were derived, two about the Ni andZr edges. The partial structure factors SNi-Ni(K), SNi-Zr(K) and SZr-Zr(K) wereestimated by using two different methods. First, the S(K,E) and DSFi(K,Em,En)factors were combined and used in a matrix inversion process. Second, threeS(K,E) factors were used as input data in the RMC technique. The coordinationnumbers and interatomic distances for the first neighbors extracted from thepartial structure factors obtained by these two methods show a good agreement.By using the three-dimensional structure derived from the RMC simulations, thebond-angle distributions were calculated and they suggest the presence ofdistorted triangular-faced polyhedral units in the amorphous NiZr2 structure.We have used the Warren chemical short-range order parameter to evaluate thechemical short-range order for the amorphous NiZr2 alloy and for the NiZr2compound. The calculated values show that the chemical short-range order foundin these two materials is similar to that found in a solid solution.Comment: Submitted to Phys. Rev. B, 8 figure

physical review. b, condensed matter

Structural study of an amorphous<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">NiZr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>alloy by anomalous wide-angle x-ray scattering and reverse Monte Carlo simulations

Structural study of an amorphousNiZr2alloy by anomalous wide-angle x-ray scattering and reverse Monte Carlo simulations