Zeitschrift für Physik B Condensed Matter

ISSN: 0722-3277 (printed version)
ISSN: 1431-584X (electronic version)

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Abstract Volume 100 Issue 3 (1996) pp 417-421

Single particle orientational potential for the N₂ molecules in the cubic <delta> phase of nitrogen

T. Westerhoff, R. Feile (*)

Institut für Physik, Johannes-Gutenberg-Universität, D-55099 Mainz, Germany

Received: 28 August 1995

Abstract. We present model calculations of the orientational potential of reference molecules sited at both of the two crystallographic positions of the cubic <delta> phase of nitrogen, displaying either spherical (2a-sites) or disclike (6c-sites) disorder. The single particle orientational potential obtained exhibits characteristic differences for the two crystallographic sites. The local energy barriers for the reorientation of the molecules were used to construct the p-T phase boundary line, first, between the <delta> and <varepsilon> phase and, second between the phase with an almost free molecular reorientation and the one with orientational localization within the <delta> phase observed in recent Raman investigations of solid nitrogen.

PACS: 64.70.Kb; 61.43.Bn

(*) Present and corresponding address: Institut für Festkörperphysik, Technische Hochschule Darmstadt, Hochschulstrasse 8, D-64289 Darmstadt, Germany

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