Surface of glassy GeS[subscript 2]: A model based on a first-principles approach

Surface of glassy GeS[subscript 2]: A model based on a first-principles approach

First-principles calculations within the framework of the density functional theory are used to construct realistic models for the surface of glassy GeS[subscript 2](g−GeS[subscript 2]). Both calculations at T = 0 K and at finite temperature (T = 300 K) are considered. This allows for a comparison b...

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Bibliographic Details
Main Authors: Massobrio, C., Bouzid, A., Boero, M., Ori, Guido, Coasne, Benoit Alain
Other Authors: Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Format: Article
Language:English
Published: American Physical Society 2014
Online Access:http://hdl.handle.net/1721.1/88660

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