Abstract
The combined molecular dynamics/density functional (MD/DF) method has been used to calculate the structures of small clusters and structural properties of amorphous and liquid materials. The focus in the present lecture is on two particular aspects of the results: (a) the relationship between the structures of clusters and extended systems of the same element, with selenium and phosphorus as examples, (b) The relationship between the structures of different elements of the same main group. Examples are taken from groups IIIa (Al, Ga), Va (P, As) and VIa (S, Se).
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© 1993 Springer-Verlag Berlin Heidelberg
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Jones, R.O. (1993). Structural Trends in Clusters and Disordered Systems. In: Terakura, K., Akai, H. (eds) Interatomic Potential and Structural Stability. Springer Series in Solid-State Sciences, vol 114. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-84968-8_8
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DOI: https://doi.org/10.1007/978-3-642-84968-8_8
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