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20022011
most citedQuasiparticle band structure based on a generalized Kohn-Sham scheme

554 citations

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cond-mat.mtrl-sci2008★ 81 cited

Band structure of ZnO from resonant x-ray emission spectroscopy

A. R. H. Preston, B. J. Ruck, L. F. J. Piper +7

Soft x-ray emission and absorption spectroscopy of the O K-edge are employed to investigate the electronic structure of wurtzite ZnO(0001). A quasiparticle band structure calculate…

cond-mat.mtrl-sci2007★ 7 cited

Electron and lattice structure of ultra thin Ag films on Si(111) and Si(001)

V. A. Gasparov, M. Riehl-Chudoba

We studied the low temperature (T<130K) growth of Ag on Si(001) and Si(111) flat surfaces prepared by Si homo epitaxy with the aim to achieve thin metallic films. The band structur…

cond-mat.mtrl-sci2006★ 151 cited

GW band structure of InAs and GaAs in the wurtzite phase

Z. Zanolli, F. Fuchs, J. Furthmueller +2

We report the first quasiparticle calculations of the newly observed wurtzite polymorph of InAs and GaAs. The calculations are performed in the GW approximation using plane waves a…

cond-mat.mtrl-sci2006★ 413 cited

First-principles studies of ground- and excited-state properties of MgO, ZnO, and CdO polymorphs

A. Schleife, F. Fuchs, J. Furthmüller +1

An ab initio pseudopotential method based on density functional theory, generalized gradient corrections to exchange and correlation, and projector-augmented waves is used to inves…

cond-mat.mtrl-sci2006★ 554 cited

Quasiparticle band structure based on a generalized Kohn-Sham scheme

F. Fuchs, J. Furthmüller, F. Bechstedt +2

We present a comparative full-potential study of generalized Kohn-Sham schemes (gKS) with explicit focus on their suitability as starting point for the solution of the quasiparticl…