The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

D Golze, M Dvorak, P Rinke - Frontiers in chemistry, 2019 - frontiersin.org
The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

EB Linscott, N Colonna, R De Gennaro… - Journal of Chemical …, 2023 - ACS Publications
Over the past decade we have developed Koopmans functionals, a computationally efficient
approach for predicting spectral properties with an orbital-density-dependent functional …

Band parameters and strain effects in ZnO and group-III nitrides

Q Yan, P Rinke, M Winkelnkemper… - Semiconductor …, 2010 - iopscience.iop.org
We present consistent sets of band parameters (including band gaps, crystal-field splittings,
effective masses, Luttinger and EP parameters) for AlN, GaN, InN and ZnO in the wurtzite …

Angle-resolved photoemission and quasiparticle calculation of ZnO: The need for band shift in oxide semiconductors

LY Lim, S Lany, YJ Chang, E Rotenberg, A Zunger… - Physical Review B …, 2012 - APS
ZnO is a prototypical semiconductor with occupied d 10 bands that interact with the anion p
states and is thus challenging for electronic structure theories. Within the context of these …

Strain induced exciton fine-structure splitting and shift in bent ZnO microwires

ZM Liao, HC Wu, Q Fu, X Fu, X Zhu, J Xu, IV Shvets… - Scientific Reports, 2012 - nature.com
Lattice strain is a useful and economic way to tune the device performance and is commonly
present in nanostructures. Here, we investigated for the first time the exciton spectra …

Digging up bulk band dispersion buried under a passivation layer

M Kobayashi, I Muneta, T Schmitt, L Patthey… - Applied Physics …, 2012 - pubs.aip.org
We report angle-resolved photoemission spectroscopy (ARPES) on a GaAs thin film
protected by an amorphous As layer with thickness exceeding the typical probing depths of …

Unraveling many-body effects in ZnO: Combined study using momentum-resolved electron energy-loss spectroscopy and first-principles calculations

DA Leon, C Elgvin, PD Nguyen, Ø Prytz, FS Hage… - Physical Review B, 2024 - APS
We present a detailed study of the dielectric response of ZnO using a combination of low-
loss momentum-resolved electron energy-loss spectroscopy (EELS) and first-principles …

Hydrogen-induced metallization on the ZnO (0001) surface

WS Silva, C Stiehler, EA Soares, EM Bittar, JC Cezar… - Physical Review B, 2018 - APS
The formation of hydrogen overlayers on the Zn-terminated ZnO (0001) surface has been
reexamined by angle-resolved photoemission spectroscopy (ARPES). While low-energy …

Band alignment at Ag/ZnO (0001) interfaces: A combined soft and hard x-ray photoemission study

E Chernysheva, W Srour, B Philippe, B Baris, S Chenot… - Physical Review B, 2018 - APS
Band alignment at the interface between evaporated silver films and Zn-or O-terminated
polar orientations of ZnO is explored by combining soft and hard x-ray photoemissions on …

Band bending at the ZnO (0001)-Zn surface produced by electropositive, electronegative and atmospheric adsorbates

E Tosi, D Comedi, G Zampieri - Applied Surface Science, 2019 - Elsevier
We have analysed the surface band bending (SBB) at the clean ZnO (0001)-Zn surface and
after its modification by electropositive, electronegative and atmospheric adsorbates. The …