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Calculating the SnS(010) Surface Electronic Structure Using the Green Function Method Z. A. Jahangirli

Az Baku

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Abstract

The electronic structure of the (010) surface in a layered SnS semiconductor terminating with Sn and S atomic planes is calculated by the Green function method. The electronic structure of a perfect crystal is calculated according to the linear combination of atomic orbitals (LCAO) using Slater s�, p� , and dorbit� als. Defectinduced changes in the density of states and the origin and orbital composition of electronic states in the band gap are discussed.

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What this paper is about

The electronic structure of the (010) surface in a layered SnS semiconductor terminating with Sn and S atomic planes is calculated by the Green function method. The electronic structure of a perfect crystal is calculated according to the linear combination of atomic orbitals (LCAO) using Slater s�, p� , and dorbit� als. Defectinduced changes in the density of states and the origin and orbital composition of electronic states in the band gap are discussed.

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Available abstract

The electronic structure of the (010) surface in a layered SnS semiconductor terminating with Sn and S atomic planes is calculated by the Green function method. The electronic structure of a perfect crystal is calculated according to the linear combination of atomic orbitals (LCAO) using Slater s�, p� , and dorbit� als. Defectinduced changes in the density of states and the origin and orbital composition of electronic states in the band gap are discussed.

Key concepts: Linear combination of atomic orbitals, Electronic structure, Atomic orbital, Semiconductor, Band gap, Surface (topology), Electronic band structure, Density of states

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