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Radescu, S., A. Mujica, P. R. Hernández, A. Muñoz, J. Ibáñez, J. A. Sans, V. P. Cuenca-Gotor, and F. J. Manjón (2017), Study of the orpiment and anorpiment phases of As2 S3 under pressure, Journal of Physics: Conference Series, 950(4), 042018.


In this work we study the pressure behaviour of the orpiment (monoclinic) and anorpiment (triclinic) layered structures of As2S3 by means of ab initio calculations performed within the density functional theory, as part of an ongoing theoretical and experimental joint effort to provide a comprehensive picture of the bonding of this interesting material and the evolution of its structural, electronic, and vibrational properties under pressure.

Reference article

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