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

Author: Ishikawa Takahiro   Nagara Hitose   Mukose Kiichiro   Kusakabe Koichi   Miyagi Hiroshi   Suzuki Naoshi  

Publisher: Taylor & Francis Ltd

ISSN: 0895-7959

Source: International Journal of High Pressure Research, Vol.28, Iss.4, 2008-12, pp. : 459-467

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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 Eew and Hartree energy Eh play an important role for the creation of the modulated structure, whereas such roles of Eew and Eh 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.