Raman scattering efficiency in S Sanna, S Neufeld, M Rüsing, G Berth, A Zrenner, WG Schmidt
Physical Review B 91 (22), 224302, 2015
128 2015 Vibrational properties of M Rüsing, S Sanna, S Neufeld, G Berth, WG Schmidt, A Zrenner, H Yu, ...
Physical Review B 93 (18), 184305, 2016
37 2016 Imaging of M Rüsing, S Neufeld, J Brockmeier, C Eigner, P Mackwitz, K Spychala, ...
Physical Review Materials 2 (10), 103801, 2018
35 2018 Tuning the conductivity along atomic chains by selective chemisorption F Edler, I Miccoli, JP Stöckmann, H Pfnür, C Braun, S Neufeld, S Sanna, ...
Physical Review B 95 (12), 125409, 2017
27 2017 Vibration-driven self-doping of dangling-bond wires on Si (553)-Au surfaces C Braun, S Neufeld, U Gerstmann, S Sanna, J Plaickner, E Speiser, ...
Physical Review Letters 124 (14), 146802, 2020
18 2020 Vibration eigenmodes of the Au- M Liebhaber, B Halbig, U Bass, J Geurts, S Neufeld, S Sanna, ...
Physical Review B 94 (23), 235304, 2016
18 2016 Vibrational Fingerprints of LiNbO3 -LiTaO3 Mixed Crystals S Sanna, A Riefer, S Neufeld, WG Schmidt, G Berth, M Rüsing, A Widhalm, ...
Ferroelectrics 447 (1), 63-68, 2013
13 2013 Potassium titanyl phosphate (KTP) quasiparticle energies and optical response S Neufeld, A Bocchini, U Gerstmann, A Schindlmayr, WG Schmidt
Journal of Physics: Materials 2 (4), 045003, 2019
12 2019 Vibrational properties of the Au-( B Halbig, M Liebhaber, U Bass, J Geurts, E Speiser, J Räthel, S Chandola, ...
Physical Review B 97 (3), 035412, 2018
12 2018 Oxygen and potassium vacancies in KTP calculated from first principles A Bocchini, S Neufeld, U Gerstmann, WG Schmidt
Journal of Physics: Condensed Matter 31 (38), 385401, 2019
9 2019 Clean and Hydrogen‐Adsorbed AlInP (001) Surfaces: Structures and Electronic Properties LJ Glahn, IA Ruiz Alvarado, S Neufeld, MA Zare Pour, A Paszuk, ...
physica status solidi (b) 259 (11), 2200308, 2022
5 2022 Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4 S Neufeld, A Schindlmayr, WG Schmidt
Journal of Physics: Materials 5 (1), 015002, 2021
3 2021 Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family S Neufeld, U Gerstmann, L Padberg, C Eigner, G Berth, C Silberhorn, ...
Crystals 13 (10), 1423, 2023
1 2023 AlInP (001) surface structure and electronic properties LJ Glahn, IAR Alvarado, S Neufeld, MAZ Pour, A Paszuk, D Ostheimer, ...
1 2022 Polaron Formation Dynamics in Lithium Niobate from Massively Parallel ab-initio Simulations M Krenz, A Bocchini, T Biktagirov, A Kozub, S Badalov, S Neufeld, ...
International Conference on High Performance Computing in Science and …, 2022
2022 Potassium titanyl phosphate Z-and Y-cut surfaces from density-functional theory S Neufeld, A Bocchini, WG Schmidt
Physical Review Materials 5 (6), 064407, 2021
2021 Accurate and Efficient Spin-Spin Zero-Field Splitting Calculations for Extended Periodic Systems T Biktagirov, C Braun, S Neufeld, U Gerstmann, WG Schmidt
High Performance Computing in Science and Engineering'18: Transactions of …, 2019
2019 Imaging of 180 degrees ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism M Ruesing, S Neufeld, J Brockmeier, C Eigner, P Mackwitz, K Spychala, ...
PHYSICAL REVIEW MATERIALS 2 (10), 2018
2018 Photo-Excited Surface Dynamics from Massively Parallel Constrained-DFT Calculations A Lücke, T Biktagirov, A Riefer, M Landmann, M Rohrmüller, C Braun, ...
High Performance Computing in Science and Engineering'17: Transactions of …, 2018
2018 Submonolayer Rare Earth Silicide Thin Films on the Si (111) Surface S Sanna, C Dues, U Gerstmann, E Rauls, D Nozaki, A Riefer, ...
High Performance Computing in Science and Engineering´ 16: Transactions of …, 2016
2016 