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2007•Journal of Physics Condensed MatterRequires access

Atomic structure of As25Si40Te35glass

Ivan G. Kaban, Sascha Gruner, P. Jóvári, Mirko Kehr, W. Hoyer, Robert G. Delaplane, M. Popescu

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Abstract

Glassy As(25)Si(40)Te(35) has been studied by x-ray and neutron diffraction as well as x-ray absorption spectroscopy (EXAFS) at As and Te K-edges. Simultaneous modelling of the four independent measurements by means of the reverse Monte Carlo (RMC) simulation technique allowed the separation of partial pair distribution functions and estimation of the corresponding coordination numbers. It is shown that the atomic structure of As(25)Si(40)Te(35) glass can be presented as a three-dimensional network of twofold coordinated Te, threefold coordinated As and fourfold coordinated Si atoms.

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What this paper is about

Glassy As(25)Si(40)Te(35) has been studied by x-ray and neutron diffraction as well as x-ray absorption spectroscopy (EXAFS) at As and Te K-edges. Simultaneous modelling of the four independent measurements by means of the reverse Monte Carlo (RMC) simulation technique allowed the separation of partial pair distribution functions and estimation of the corresponding coordination numbers. It is shown that the atomic structure of As(25)Si(40)Te(35) glass can be presented as a three-dimensional network of twofold coordinated Te, threefold coordinated As and fourfold coordinated Si atoms.

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Available abstract

Glassy As(25)Si(40)Te(35) has been studied by x-ray and neutron diffraction as well as x-ray absorption spectroscopy (EXAFS) at As and Te K-edges. Simultaneous modelling of the four independent measurements by means of the reverse Monte Carlo (RMC) simulation technique allowed the separation of partial pair distribution functions and estimation of the corresponding coordination numbers. It is shown that the atomic structure of As(25)Si(40)Te(35) glass can be presented as a three-dimensional network of twofold coordinated Te, threefold coordinated As and fourfold coordinated Si atoms.

Key concepts: Reverse Monte Carlo, Extended X-ray absorption fine structure, Coordination number, Neutron diffraction, Spectroscopy, Materials science, Absorption (acoustics), Diffraction

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