"1098-0121" . "RIV/68378271:_____/13:00398143" . "Hannappel, T." . "Romanyuk, Olexandr" . "The atomic structure of GaP(111)/Si(111), GaP(110)/Si(110), and GaP(113)/Si(113) heterointerfaces was studied by ab initio calculations employing the density functional theory (DFT). Relative formation energies were computed for the interface layers allowing for atomic intermixing. The application of the electron-counting model, a construction principle used for surface reconstructions, to the case of the GaP(111)/Si(111) interfaces leads to electronic compensation at the heterovalent interfaces and to a reduction of the interface formation energy. The speci\uFB01c equilibrium (111) interface reconstruction can be tuned by changing the chemical potential." . "http://prb.aps.org/abstract/PRB/v88/i11/e115312" . . "Grosse, F." . . . . "The atomic structure of GaP(111)/Si(111), GaP(110)/Si(110), and GaP(113)/Si(113) heterointerfaces was studied by ab initio calculations employing the density functional theory (DFT). Relative formation energies were computed for the interface layers allowing for atomic intermixing. The application of the electron-counting model, a construction principle used for surface reconstructions, to the case of the GaP(111)/Si(111) interfaces leads to electronic compensation at the heterovalent interfaces and to a reduction of the interface formation energy. The speci\uFB01c equilibrium (111) interface reconstruction can be tuned by changing the chemical potential."@en . . . "I, P(GPP204/10/P028)" . . . "Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory"@en . . "Physical Review. B" . "1"^^ . "11" . "Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory"@en . "000324690400006" . "Romanyuk, Olexandr" . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . . "Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory" . . "8"^^ . "Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory" . "3"^^ . "RIV/68378271:_____/13:00398143!RIV14-GA0-68378271" . "88" . . "62447" . . "GaP; heterointerface structure; DFT"@en . "10.1103/PhysRevB.88.115312" . "[6A780D3FF785]" . .