Publications of J. Neugebauer
All genres
Journal Article (314)
241.
Journal Article
110 (4), pp. 043708-1 - 043708-6 (2011)
Growth process, characterization, and modeling of electronic properties of coupled InAsSbP nanostructures. Journal of Applied Physics 242.
Journal Article
84 (8), 085101, pp. 1 - 11 (2011)
Construction and performance of fully numerical optimum atomic basis sets. Physical Review B 243.
Journal Article
248 (8), pp. 1837 - 1852 (2011)
Theoretical modeling of growth processes, extended defects, and electronic properties of III-nitride semiconductor nanostructures. Physica Status Solidi B 244.
Journal Article
248 (6), pp. 1295 - 1308 (2011)
Formation energies of point defects at finite temperatures. Physica Status Solidi B 245.
Journal Article
23 (24), 246003 (2011)
The influence of additions of Al and Si on the lattice stability of fcc and hcp Fe–Mn random alloys. Journal of Physics: Condensed Matter 246.
Journal Article
83 (14), 144110, pp. 1 - 8 (2011)
Ab initio study of electron paramagnetic resonance hyperfine structure of the silicon dangling bond: Role of the local environment. Physical Review B 247.
Journal Article
83 (16), 165114 (2011)
Role of spin quantization in determining the thermodynamic properties of magnetic transition metals. Physical Review B 248.
Journal Article
182 (3), pp. 543 - 554 (2011)
The object-oriented DFT program library S/PHI/nX. Computer Physics Communications 249.
Journal Article
59, pp. 2969 - 2980 (2011)
Hydrogen-enhanced plasticity at dilute bulk H concentrations: The role of H-H interactions and the formation of local hydrides. Acta Materialia 250.
Journal Article
In-situ Scanning Tunneling Microscopy Study of selective dissolution of Au3Cu and Cu3Au(001). SI, pp. 1694 - 1700 (2011)
251.
Journal Article
59, pp. 3041 - 3048 (2011)
First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys. Acta Materialia 252.
Journal Article
82 (2), pp. 86 - 100 (2011)
Determining the elasticity of materials employing quantum mechanical approaches: From the electronic ground state to the limits of materials stability. Steel Research International 253.
Journal Article
109, pp. 083511-1 - 083511-6 (2011)
Electronic structure of 1/6 <20 2¯3> partial dislocations in wurtzite GaN. Journal of Applied Physics 254.
Journal Article
4, pp. 129 - 145 (2011)
Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations. Journal of the Mechanical Behavior of Biomedical Materials 255.
Journal Article
56 (4), pp. 1694 - 1700 (2011)
In situ scanning tunneling microscopy study of selective dissolution of Au3Cu and Cu3Au (001). Electrochimica Acta 256.
Journal Article
19, pp. 327 - 335 (2011)
Anisotropic mechanical behavior of ultrafine eutectic TiFe cast under non-equilibrium conditions. Intermetallics 257.
Journal Article
83 (18), pp. 184112-1 - 184112-11 (2011)
Orientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions. Physical Review B 258.
Journal Article
12 (12), pp. 1198 - 1205 (2010)
Using ab initio calculations in designing bcc MgLi–X alloys for ultra-lightweight applications. Advanced Engineering Materials 259.
Journal Article
82 (22), pp. 224104-1 - 224104-11 (2010)
First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron. Physical Review B 260.
Journal Article
6 (12), pp. 4506 - 4512 (2010)
Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. Acta Biomaterialia