Publications
| Articles: | |
| 1. |
Marquardt, O.; Schulz, S.; Freysoldt, C.; Boeck, S.; Hickel, T.; O’Reilly, E. P.; Neugebauer, J.,
A flexible, plane-wave based multiband k.p model,
Optical and Quantum Electronics
44
(2012),
no. 3,
183-188,
External Affiliations:
Marquardt, Schulz, O'Reilly: B Tyndall National Institute, Lee Maltings, Cork, Ireland
Boeck: Gemmantics IT-Consulting UG, Niermannsweg 11, 40699 Erkrath, Germany
DOI 10.1007/s11082-011-9506-3
http://edoc.mpg.de/614917 |
| 2. |
Marquardt, O.; Schulz, S.; Freysoldt, C.; Boeck, S.; Hickel, T.; O'Reilly, E. P.; Neugebauer, J.,
A flexible, plane-wave based multiband k center dot p model,
Optical and Quantum Electronics
44
(2012),
no. 3-5,
183-188,
External Affiliations:
Marquardt, O., O'Reilly, E. P.: Tyndall Natl Inst, Cork, Ireland
Boeck, S.: Gemmantics IT Consulting UG, D-40699 Erkrath, Germany
DOI: 10.1007/s11082-011-9506-3
http://edoc.mpg.de/618208 |
| 3. |
Boeck, S.; Freysoldt, C.; Dick, A.; Ismer, L.; Neugebauer, J.,
The object-oriented DFT program library S/PHI/nX,
Computer Physics Communications
182
(2011),
543-554,
http://edoc.mpg.de/443403 |
| 4. |
Marquardt, O.; Boeck, S.; Freysoldt, C.; Hickel, T.; Neugebauer, J.,
Plane-wave implementation of the real-space k.p formalism and continuum elasticity theory,
Computer Physics Communications
181
(2009),
765--771,
http://edoc.mpg.de/434562 |
| 5. |
Boeck, S.; Freysoldt, C.; Dick, A.; Ismer, L.; Neugebauer, J.,
The object-oriented DFT program library S/PHI/nX,
Computer Physics Communications
(2009),
http://edoc.mpg.de/443403 |
| 6. |
Freysoldt, C.; Boeck, S.; Neugebauer, J.,
Direct minimization technique for metals in density-functional theory,
Physical Review B
79
(2009),
no. 241103(R),
http://edoc.mpg.de/400823 |
| 7. |
Qteish, A.; Al-Sharif, A.I.; Fuchs, M.; Scheffler, M.; Boeck, S.; Neugebauer, J.,
Exact-exchange calculations of the electronic structure of AlN, GaN and InN,
Computer Physics Communications
169
(2005),
no. 1-3,
28-31,
http://edoc.mpg.de/289766 |
| 8. |
Ismer, L.; Joel, J.; Boeck, S.; Neugebauer, J.,
Phonon spectra and thermodynamic properties of the infinite polyalanine alpha helix: A density-functional-theory-based harmonic vibrational analysis,
Physical Review E
71
(2005),
31911,
http://edoc.mpg.de/289763 |
| 9. |
Qteish, A.; Al-Sharif, A. I.; Fuchs, M.; Scheffler, M.; Boeck, S.; Neugebauer, J.,
Role of semicore states in the electronic structure of group-III nitrides: An exact-exchange study,
Physical Review B
72
(2005),
155317,
http://edoc.mpg.de/289765 |
| Books: | |
| 10. |
Boeck, S.,
Development and Application of the S/PHI/nX Library,
Development and Application of the S/PHI/nX Library, Südwestdeutscher Verlag für Hochschulschriften, Saarbrücken, Germany, 2009,
122009.
ISBN 978-3-8381-1276-3
http://edoc.mpg.de/440461 |
| Conferences: | |
| 11. |
Aydin, U.; Boeck, S.; Hickel, T.; Neugebauer, J.,
Hydrogen solution enthalpies derived from first principles: chemical trends along the series of transition metals,
2011.
DPG Frühjahrstagung, 2011, Dresden, Germany
http://edoc.mpg.de/576688 |
| 12. |
Marquardt, O.; Hickel, T.; Grabowski, B.; Boeck, S.; Neugebauer, J.,
implementation and application of the k.p-formalism to electronic structure and Coulomb matrix elements,
32007.
Deutsche Physikalische Gesellschaft Fruehjahrstagung. Regensburg, Germany
http://edoc.mpg.de/318253 |
| Proceedings: | |
| 13. |
A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models,
vol.
2012.
11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Conference-Paper
http://edoc.mpg.de/626132 |
| PhD thesis: | |
| 14. |
Boeck, S.,
Development and Application of the S/PHI/nX Library,
122009,
Advisor: Neugebauer, J., Referee: Schmidt, W. G.. University of Paderborn, Paderborn, Germany. 3.09.2009
http://edoc.mpg.de/440594 |
