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Charge-density waves, incommensurate modulations and superconductivity in phosphorus and iodine

High Pressure Research , Volume 28 (4): 459-467 – Dec 1, 2008

Details

Publisher
Taylor & Francis
Copyright
© 2009 Informa plc
Subject
modulated structure
ISSN
0895-7959
D.O.I.
10.1080/08957950802567612
Publisher site
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Charge-density waves, incommensurate modulations and superconductivity in phosphorus and iodine

Abstract

Modulated structures in phosphorous and iodine at high pressure have been studied by ab-initio calculations. In phosphorous the electrostatic interaction between the charge density, i.e . Ewald energy E ew and Hartree energy E h play an important role for the creation of the modulated structure, whereas such roles of E ew and E h are not observed in iodine. Results of a detailed study of the electronic properties are shown and discussed for phosphorous in comparison with those of iodine. Superconductivity in these materials has been discussed in relation to those properties.
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