Signature of Coordination Defects in the Vibrational Spectrum of Amorphous Chalcogenides

Using model structures obtained from molecular dynamics simulations, we calculate the Infrared (IR) spectrum of amorphous and liquid As2Se3. The calculated spectrum is in rather good agreement with the experimental counterpart and contains the signatures of coordination defects represented by quasi-...

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Váldodahkkit:	Matthieu Micoulaut, Punit Boolchand
Materiálatiipa:	Artigo
Giella:	Inglês
Almmustuhtton:	Frontiers Media S.A. 2019-11-01
Ráidu:	Frontiers in Materials
Fáttát:	As-Se glasses molecular simulations rigidity transitions structure of disordered networks vibrational analysis
Liŋkkat:	https://www.frontiersin.org/article/10.3389/fmats.2019.00283/full
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