A first-principle calculation of the Hall coefficient of liquid Fe is performed by using the formula found by Itoh and the tight-binding, linear muffin-tin orbital, particle source method. The calculated coefficient is positive and agrees well with the experiment. Only ordinary potential scattering is involved in the calculation, and the positive Hall coefficient is thus explained without recourse to any special mechanism. It is also shown that the hybridization between $p$ and $d$ states plays an important role.

• Received 19 May 1998

DOI:https://doi.org/10.1103/PhysRevLett.81.3727