Publications
CM Publications
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| Articles: | |
| 1. |
Hallstedt, B.; Djurovica, D.; von Appen, J.; Dronskowski, R.; Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.,
Thermodynamic properties of cementite (Fe3C),
Calphad
(2009),
Accepted
http://edoc.mpg.de/441512 accepted |
| 2. |
Marquardt, O.; Hickel, T.; Neugebauer, J.,
Polarization-induced charge carrier separation in polar and nonpolar grown GaN quantum dots,
Journal of Applied Physics
106
(2009),
083707,
http://edoc.mpg.de/438998 |
| 3. |
Dick, A.; Hickel, T.; Neugebauer, J.,
The Effect of Disorder on the Concentration-Dependence of Stacking Fault Energies in Fe1-xMnx – a First Principles Study,
Steel Research International
80
(2009),
no. 9,
603--608,
http://edoc.mpg.de/438879 |
| 4. |
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 |
| 5. |
Udyansky, A.; von Pezold, J.; Bugaev, N. V.; Friák, M.; Neugebauer, J.,
Interplay between long-range elastic and short-range chemical interactions in Fe-C martensite formation,
Physical Review B
79
(2009),
224112,
http://edoc.mpg.de/433147 |
| 6. |
Lymperakis, Liverios; Neugebauer, Jörg,
Large anisotropic adatom kinetics on nonpolar GaN surfaces: Consequences for surface morphologies and nanowire growth,
Physical Review B
79
(2009),
241308,
http://edoc.mpg.de/443407 |
| 7. |
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.,
Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations,
Physical Review B
79
(2009),
184406,
http://edoc.mpg.de/378785 |
| 8. |
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.,
Ab initio up to the melting point: Anharmonicity and vacancies in aluminum,
Physical Review B
79
(2009),
134106-1--134106-16,
http://edoc.mpg.de/438878 |
| 9. |
Abu-Farsakh, H.; Neugebauer, J.,
Enhancing nitrogen solubility in GaAs and InAs by surface kinetics: An ab initio study,
Physical Review B
79
(2009),
155311,
http://edoc.mpg.de/378141 |
| 10. |
Young, T. D.; Marquardt, O.,
Influence of strain and polarisation on electronic properties of a GaN/AlN quantum dot,
Physica Status Solidi (c)
6
(2009),
no. S557,
S557-S560,
http://edoc.mpg.de/377644 |
| 11. |
Freysoldt, Christoph; Neugebauer, Jörg; Van de Walle, Chris G.,
Fully ab initio finite-size corrections for charged defect supercell calculations,
Physical Review Letters
102
(2009),
016402,
http://edoc.mpg.de/378147 |
| 12. |
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.,
Using ab initio calculations in designing bcc Mg-Li alloys for ultra light-weight applications,
Acta Materialia
57
(2009),
69--76,
http://edoc.mpg.de/395336 |
| 13. |
Uijttewaal, M.; Hickel, T.; Neugebauer, J.; Gruner, M. E.; Entel, P.,
Understanding the phase transformations of the Ni2MnGa shape memory system from first principles,
Physical Review Letters
102
(2009),
035702,
http://edoc.mpg.de/400821 |
| 14. |
Valtiner, M.; Todorova, M.; Grundmeier, G.; Neugebauer, J.,
Temperature Stabilized reconstructions at polar ZnO(0001),
Physical Review Letters
103
(2009),
no. 6,
065502,
http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRLTAO000103000006065502000001&idtype=cvips&gifs=yes |
| 15. |
Hickel, T.; Dick, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.,
Steel design from fully parameter-free ab initio computer simulations,
Steel Research International
80
(2009),
4--8,
http://edoc.mpg.de/377973 |
| 16. |
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.,
Using ab intio calculations in designing bcc Mg-Li alloys for ultra light-weight applications,
Acta Materialia
57
(2009),
69-76,
http://edoc.mpg.de/440953 |
| 17. |
Lymperakis, L.; Friák, M.; Neugebauer, J.,
Atomistic calculations on interfaces: Bridging the length and time scales,
The European Physics Journal Special Topics
177
(2009),
41--57,
http://edoc.mpg.de/441492 |
| 18. |
Nikolov, S.; Petrov, M.; Lymperakis, L.; Friák, M.; Sachs, C.; Fabritius, Helge-Otto; Raabe, D.; Neugebauer, J.,
Revealing the Design Principles of High-Performance Biological Composites Using Ab initio and Multiscale Simulations: The Example of Lobster Cuticle,
Advanced Materials
21
(2009),
1--8,
http://edoc.mpg.de/441493 |
| 19. |
Christoph Freysoldt, Patrick Rinke, Matthias Scheffler,
Controlling polarization at insulating surfaces: Quasiparticle calculations for molecules adsorbed on insulator films,
Phys. Rev. Lett.
103
(2009),
056803,
(External publication)
http://www.edoc.mpg.de/432289 |
| Contributions to Books: | |
| 20. |
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.,
Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys,
vol. ,
2009,
In Magnesium, 8th International Conference on Magnesium Alloys and their Applications. (WILEY-VCH, Weinheim, Germany). ISBN:978-3-527-32732-4
http://edoc.mpg.de/441494 |
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This page is maintained by Blazej Grabowski. Last update: 19.01.2010