Self-consistent surface electronic structure for semi-infinite semiconductors from scattering theory

A model for self-consistent cluster calc

A model for self-consistent cluster calculations of the electronic structure of doped semiconductors by means of the SCF Xα scattered wave method

✍ B. Cartling; B. Roos; U. Wahlgren 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 451 KB

It is shown that essential Features of the band structure of a. covalent crystal, as silicon, emerge in the level scheme of a cluster calculation utilizing the SCF Xa scattered wave method. 'The model cluster was terminated by a layer of saturating atoms to take care or the dangling bonds and the po