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