Electron trapping in substoichiometric germanium oxide

Binder, Jan Felix; Broqvist, Peter; Pasquarello, Alfredo

doi:doi:10.1063/1.3486175

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Symmetry-mode analysis of the ferroelectric transition in YMnO₃

Group theoretical methods were applied to elucidate the structural transition path and the polarization process in YMnO3. The atomic displacements derived from in situ high-temperature synchrotron x-ray powder diffraction data were decomposed into three symmetry-adapted modes (Γ2−, K1, and K3). The temperature dependence of the mode amplitudes confirmed the existence of two step-transitions. First, a coupled K3 and Γ2− mode lowered the symmetry from P63/mmc to P63cm at the phase-transition temp...

Effects of O₃ and H₂O oxidants on C and N-related impurities in atomic-layer-deposited La₂O₃ films observed by in situ x-ray photoelectron spectroscopy

The effect of H2O and O3 oxidants on the behavior of residual C and N-related impurities as well as Si out-diffusion and interfacial layer formation in atomic-layer-deposited La2O3 films grown at 250 °C were examined using in situ x-ray photoelectron spectroscopy. The silicate formation was suppressed in a La2O3 film grown using O3 compared to that deposited using H2O, but interfacial layer growth was enhanced. The accumulation of C and N-related residues with low binding energy, which originat...

Model structures of substoichiometric germanium oxide generated by ab initio molecular dynamics reveal a rich variety of bonding configurations, including threefold coordinated Ge and O atoms which correspond to valence alternation pairs. A sizable fraction of twofold Ge atoms carrying unoccupied dangling bonds is also found. The present structures are prone to electron capture. The electrons are trapped in additionally formed Ge–Ge bonds. The associated defect levels fall within the Ge band gap and could explain the poor performance of n-type Ge devices.

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KEYWORDS and PACS

Keywords

ab initio calculations, amorphous state, dangling bonds, defect states, electron traps, germanium compounds, molecular dynamics method

PACS

72.20.Jv

Charge carriers: generation, recombination, lifetime, and trapping
71.55.Ht

Other nonmetals
61.43.Bn

Structural modeling: serial-addition models, computer simulation

ARTICLE DATA

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http://dx.doi.org/10.1063/1.3486175

PUBLICATION DATA

ISSN

0003-6951 (print)

1077-3118 (online)

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American Institute of Physics

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