Publications of Jörg Neugebauer
All genres
Journal Article (314)
161.
Journal Article
92 (6), 064107 (2015)
From generalized stacking fault energies to dislocation properties: Five-energy-point approach and solid solution effects in magnesium. Physical Review B 162.
Journal Article
91 (21), 214311 (2015)
Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC. Physical Review B 163.
Journal Article
90, pp. 69 - 76 (2015)
A first principles investigation of zine induced embrittlement at grain boundaries in bcc iron. Acta Materialia 164.
Journal Article
91 (20), 201103 (2015)
Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au. Physical Review B 165.
Journal Article
114 (19), 195901 (2015)
Understanding anharmonicity in fcc Materials: From its origin to ab initio strategies beyond the quasiharmonic approximation. Physical Review Letters 166.
Journal Article
252 (5), pp. 855 - 865 (2015)
Ab initio-based bulk and surface thermodynamics of InGaN alloys: Investigating the effects of strain and surface polarity. Physica Status Solidi B 167.
Journal Article
9 (5), pp. 321 - 325 (2015)
Interplay of strain and interdiffusion in Heusler alloy bilayers. Physica Status Solidi (RRL) - Rapid Research Letters 168.
Journal Article
89, pp. 50 - 59 (2015)
Multiscale description of dislocation induced nano-hydrides. Acta Materialia 169.
Journal Article
85, pp. 53 - 66 (2015)
Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation. Acta Materialia 170.
Journal Article
631, pp. 190 - 195 (2015)
Connecting semiconductor defect chemistry with electrochemistry: Impact of the electrolyte on the formation and concentration of point defects in ZnO. Surface Science 171.
Journal Article
180, pp. 97 - 112 (2015)
Identification of bulk oxide defects in an electrochemical environment. Faraday Discussions 172.
Journal Article
90 (24), 245301 (2014)
Ordering phenomena and formation of nanostructures in InxGa1−xN layers coherently grown on GaN(0001). Physical Review B 173.
Journal Article
35 (31), pp. 2239 - 2244 (2014)
Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe–Mn alloys: A first-principles study. Journal of Computational Chemistry 174.
Journal Article
90 (24), 241201 (2014)
Origin of the unusually strong luminescence of a-type screw dislocations in GaN. Physical Review B 175.
Journal Article
95, pp. 280 - 287 (2014)
A generalized plane-wave formulation of k · p formalism and continuum-elasticity approach to elastic and electronic properties of semiconductor nanostructures. Computational Materials Science 176.
Journal Article
35 (6), pp. 695 - 700 (2014)
Ab Initio Predicted Impact of Pt on Phase Stabilities in Ni–Mn–Ga Heusler alloys. Journal of Phase Equilibra and Diffusion 177.
Journal Article
90 (18), 184106 (2014)
Macroscopic elastic properties of textured ZrN–AlN polycrystalline aggregates. Physical Review B 178.
Journal Article
90 (18), 184102 (2014)
Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment. Physical Review B 179.
Journal Article
113 (16), 165503 (2014)
Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment. Physical Review Letters 180.
Journal Article
113 (13), 136102 (2014)
Negatively charged ions on Mg(0001) surfaces: Appearance and origin of attractive adsorbate-adsorbate interactions. Physical Review Letters