Linear muffin-tin-orbital and<b>k</b>⋅<b>p</b>calculations of effective masses and band structure of semiconducting diamond

Abstract

The electronic structure of semiconducting diamond is calculated by the scalar-relativistic linear muffin-tin-orbital method within the local-density approximation. Information about matrix elements, effective masses, and Luttinger parameters is extracted by comparison with k\ensuremath{\cdot}p calculations. An extended 16\ifmmode\times\else\texttimes\fi{}16 k\ensuremath{\cdot}p calculation is performed using the parameters above as input so as to obtain the detailed band structure of the higher valence and lower conduction band states around the \ensuremath{\Gamma} point in the (110) direction.