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@INPROCEEDINGS{Schnohr:191841,
author = {Schnohr, Claudia},
title = {{C}halcopyrite semiconductors: {A}tomic-scale structure and
band gap bowing},
school = {University of Jena},
reportid = {PUBDB-2014-04029},
year = {2014},
abstract = {Cu(In,Ga)Se2 is one of the most promising material systems
for thin film photovoltaics with record efficiencies above
$20\%$ on laboratory scale. The material crystallizes in the
chalcopyrite type crystal structure where the anion is
typically displaced from its ideal lattice site due to the
different properties of the neighbouring cations. This
subtle structural variation has a strong influence on the
energy band gap. Therefore, we have studied the atomic-scale
structure of Cu(In,Ga)Se2 as a function of composition using
extended X-ray absorption fine structure spectroscopy and
valence force field simulations. The local atomic
arrangements are found to deviate significantly from the
long-range crystallographic structure and the material is
characterised by structural inhomogeneity on the atomic
scale. Regarding the anion position, two different
displacement mechanisms have to be distinguished both of
which influence the nonlinear change of the band gap with
material composition. Similar results were also obtained for
Cu(In,Ga)S2 indicating that our findings represent general
features of these highly relevant yet complex chalcopyrite
semiconductors.},
month = {Mar},
date = {2014-03-31},
organization = {2014 Spring Meeting of the Deutsche
Physikalische Gesellschaft (German
Physical Society), Dresden (Germany),
31 Mar 2014 - 4 Apr 2014},
subtyp = {Invited},
cin = {DOOR},
cid = {I:(DE-H253)HAS-User-20120731},
pnm = {DORIS Beamline C (POF2-54G13) / FS-Proposal: I-20110135
(I-20110135) / FS-Proposal: I-20100027 (I-20100027)},
pid = {G:(DE-H253)POF2-C-20130405 / G:(DE-H253)I-20110135 /
G:(DE-H253)I-20100027},
experiment = {EXP:(DE-H253)D-C-20150101},
typ = {PUB:(DE-HGF)6},
url = {https://bib-pubdb1.desy.de/record/191841},
}