Linear muffin-tin-orbital andk⋅pcalculations of effective masses and band structure of semiconducting diamond

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 calculations. An extended 1616 k 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 point in the (110) direction.