Publikationsrepositorium - Helmholtz-Zentrum Dresden-Rossendorf

Understanding the electronic transport properties of iron under high temperatures and pressures is essential for constraining geophysical processes. The difficulty of reliably measuring these properties calls for sophisticated theoretical methods that can support diagnostics. We present electrical conductivity results from simulating microscopic Ohm’s law using the real-time formalism of time-dependent density functional theory for conditions ranging from high-pressure solid at ambient temperature to earth-core conditions.