π-Bonded chain structure for Ge ON Si(111) - Srivastava, G.P.; Ciraci, S.; P. Batra, I. (Elsevier)
Using pseudopotential total-energy and force methods, we have studied the atomic and electronic structure of substitutional monolayer coverage of Ge on the cleaved Si(111) surface. Our results indicate that Ge atoms form a π-chain with an energy benefit of 0.32 eV /(surface atom) relative to the ideal substitutional configuration. The π-chain structure is semiconducting, and the resulting band structure is readily distinguishable from the Seiwatz chain model.
http://linkinghub.elsevier.com/retrieve/pii/0167-2584(87)90134-4
Keywords: U