title: First-principles studies of electrical resistivity of iron under pressure.
abstract: We investigate the temperature and pressure dependences of the electrical resistivity, thermal conductivity and thermal diffusivity for bcc and hcp Fe using the low-order variational approximation and theoretical transport spectral functions calculated from the first-principles linear response linear-muffin-tin-orbital method in the generalized gradient approximation. The calculated values for the electrical resistivity show a strong increase with temperature and decrease with pressure, and are in agreement with high-temperature shock data. We also discuss the behavior of the electrical resistivity for the bcc→hcp phase transition.
authors.affiliation: Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, NW, Washington, DC 20015, USA.
authors.forename: Xianwei
authors.initials: X
authors.lastname: Sha
authors.forename: R E
authors.initials: RE
authors.lastname: Cohen
mesh_terms: D003198:Computer Simulation; D017097:Electric Impedance; D007501:Iron / Q000737:chemistry*; D008956:Models, Chemical; D011312:Pressure
chemical_list: D007501:Iron