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

Charge-density waves, incommensurate modulations and superconductivity in phosphorus and iodine 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png High Pressure Research Taylor & Francis

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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