On the lattice dynamics of solid nitrogen
β Scribed by T. Luty; G.S. Pawley
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 425 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Lattice statics and dynamics calculations for cu-nitrogen have bees done using the fi-exp aeoin-atom titenction to derive intennoldcular forces. The three pammeters of this interaction ue reduced to one by cunskeining them so that the uo.it cell and sublimation energy are calculated to agree with experincnt. Choicc'af the ane parameter.
is then made us&g spectroscopic date. This 'best' potential is then used to cskulate fhe statics and dynamics of &nitrcgen. This is stable only under pressure, and the calculation of the h&ice dynamics under pcesrure gives a satisia~tory agreement with &perk&t.
1. a9itrogen
The a.phase of nitrogen is stable below 35.4 I;: and under nornml pressure. A schematic phase-dia; gram for nitrogen is shown in fig. 1. Accordini to 'I' ~fiEti'CA&~H+XSLElTE~S' ',I :.
π SIMILAR VOLUMES
The results of lattice dynamic;ll calculations on wlid chlorine and iodine are presented. A consideration of the intermolecular iorces ha% shown that 3 charge transfer interaction is important, 3s well as Lennard-Jones snd quodrupole inleractions
The distinct feature of the chemical bonding of boron solids is three-center or icosahedral bonding. The consequences of this peculiar bonding on the lattice dynamics are discussed in terms of the central and noncentral forces, while the recent development in this field is reviewed. The character of
Harmonic lattice dynamics calculations have been performed on the low temperature structure of solid CT,,. The theoretically obtained lattice structure agrees with the experimentally determined low temperature structure and the symmetry is found to be P2,/m. The orientationally ordered equilibrium i