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{·}p calculations. An extended 16×{}16 k{·}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 {Γ} point in the (110) direction.