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Articles:
1. Marquardt, O.; Mourad, D.; Schulz, S.; Hickel, T.; Czycholl, G.; Neugebauer, J., A comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots, Physical Review B 78 (2008), 235302,
http://edoc.mpg.de/377770
2. Friák, M.; Counts, W.; Raabe, D.; Neugebauer, J., Error-propagation in multiscale approaches to the elasticity of polycrystals, Physica Status Solidi (b) 245 (2008), 2636--2641,
http://edoc.mpg.de/395333
3. Lencer, D.; Salinga, M.; Grabowski, B.; Hickel, T.; Neugebauer, J., A map for phase-change materials, Nature Materials 7 (2008), 972--977,
http://edoc.mpg.de/395335
4. Lange, B.; Posner, R.; Pohl, K.; Thierfelder, C.; Grundmeier, G.; Blankenburg, S.; Schmidt, W.G., Water adsorption on hydrogenated Si(111) surfaces, Surface Science 603 (2008), 60-64,
http://edoc.mpg.de/379992
5. Friák, M.; Counts, W. A.; Raabe, D.; Neugebauer, J., Error-propagation in multiscale approaches to the elasticity of polycrystals, Physica Status Solidi (B) 245 (2008), 2636-2641,
http://edoc.mpg.de/423504
6. Friák, M.; Sander, B.; Raabe, D.; Neugebauer, J., Theory-guided design of Ti-based binaries for human implants, Journal of Physics: Condensed Matter 20 (2008), no. 6,
http://edoc.mpg.de/379080
7. Körmann, F.; Dick, A.; Grabowski, B.; Hallstedt, B.; Hickel, T.; Neugebauer, J., Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions, Physical Review B 78 (2008), 033102,
http://edoc.mpg.de/366474
8. Friák, M.; Sob, M., Ab initio study of the bcc-hcp transformation in iron, 77 (2008), 174117,
http://edoc.mpg.de/360754
9. Ismer, L.; Ireta, J.; Neugebauer, J., First principles free energy analysis of helix stability: The origin of the low entropy in pi-helices, Journal of Physical Chemistry B 112 (2008), 4109-4112,
http://edoc.mpg.de/327433
10. Rinke, P.; Winkelnkemper, M.; Qteish, A.; Bimberg, D.; Neugebauer, J.; Scheffler, M., Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN, Physical Review B 77 (2008), 075202,
http://edoc.mpg.de/395330
11. Rinke, P.; Qteish, A.; Bimberg, D.; Neugebauer, J.; Scheffler, M., Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy, Physica Status Solidi (b) 245 (2008), no. 5, 929--945,
http://edoc.mpg.de/395331
12. Freysoldt, C.; Eggert, P.; Rinke, P.; Schindlmayr, A.; Scheffler, M., Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach, Physical Review B 77 (2008), 235428, (External publication)
13. Körmann, F.; Kienert, J.; Schwieger, S.; Nolting, W., Cu cap layer on Ni8/Cu(001): reorientation and Tc-shift, The European Physical Journal B 65 (2008), 499--504,
http://edoc.mpg.de/377724
14. Ma, D.; Friák, M.; Neugebauer, J.; Raabe, D., Roters, F., Multiscale simulation of polycrystal mechanics of textured β-Ti alloys using ab initio and crystal-based finite element methods , Physica statatus solidi B 245 (2008), 2642-2648,
http://edoc.mpg.de/396880
15. Counts, W. A.; Friak, M.; Battaile, C. C.; D. Raabe, D.; Neugebauer, J., A comparison of polycrystalline elastic constants computed by analytic homogenization schemes and FEM , Physica statatus solidi B 245 (2008), 2630-2635,
http://edoc.mpg.de/396882
16. Mezger, M.; Schröder, H.; Reichert, H.; Schramm, S.; Okasinski, J. S.; Schöder, S.; Honkimäki, V.; Deutsch, M.; Ocko, B. M.; Rohwerder, M.; Stratmann, M.; Dosch, H., Molecular layering of fluorinated ionic liquids at a charged sapphire(0001) surface, Science 322 (2008), 424-428,
http://edoc.mpg.de/380132
Conferences:
17. Lymperakis, L.; Neugebauer, J., Ab-initio based growth simulations of GaN based nanowires, 122008. MRS fall meeting. Boston, USA. 1-5.12.
http://edoc.mpg.de/378586
18. Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D., Ground-state structure and elastic anisotropy of crystalline alpha-chitin: An ab-initio based conformational analysis, 122008. Materials Research Society meeting (MRS). Boston, USA. 1-5.12.2008.
http://edoc.mpg.de/395755
19. Friák, M.; Deges, J.; Stein, F.; Palm, M.; Frommeyer, G.; Neugebauer, J., Ab initio study on elastic properties of Fe3Al-based alloys, 122008. Materials Research Society meeting (MRS). Boston, USA. 1-5.12.2008. (Talk)
http://edoc.mpg.de/395756
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