Publications of Christoph Freysoldt
All genres
Journal Article (56)
41.
Journal Article
86 (1), 253 (2014)
First-principles calculations for point defects in solids. Reviews of Modern Physics 42.
Journal Article
111 (25), 256101 (2013)
Interface structure and chemistry of GaN on Ge(111). Physical Review Letters 43.
Journal Article
87 (12), 125308, pp. 1 - 7 (2013)
Dangling-bond defect in a-Si:H: Characterization of network and strain effects by first-principles calculation of the EPR parameters. Physical Review B 44.
Journal Article
358 (17), pp. 2063 - 2066 (2012)
The dangling-bond defect in amorphous silicon: Statistical random versus kinetically driven defect geometries. Journal of Non-Crystalline Solids 45.
Journal Article
44 (3-5), pp. 183 - 188 (2012)
A flexible, plane-wave based multiband k . p model. Optical and Quantum Electronics 46.
Journal Article
85 (19), 195202, pp. 1 - 8 (2012)
Ab initio EPR parameters for dangling-bond defect complexes in silicon: Effect of Jahn-Teller distortion. Physical Review B 47.
Journal Article
84, 245203, pp. 1 - 10 (2011)
Combined multifrequency EPR and DFT study of dangling bonds in a-Si:H. Physical Review B 48.
Journal Article
84 (19), 193304, pp. 1 - 4 (2011)
Quasiparticle band offsets of semiconductor heterojunctions from a generalized marker method. Physical Review B 49.
Journal Article
84 (8), 085101, pp. 1 - 11 (2011)
Construction and performance of fully numerical optimum atomic basis sets. Physical Review B 50.
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 51.
Journal Article
182 (3), pp. 543 - 554 (2011)
The object-oriented DFT program library S/PHI/nX. Computer Physics Communications 52.
Journal Article
81, 224109, pp. 1 - 10 (2010)
Native and hydrogen-containing point defects in Mg3N2: A density functional theory study. Physical Review B 53.
Journal Article
181 (4), pp. 765 - 771 (2010)
Plane-wave implementation of the real-space k.p formalism and continuum elasticity theory. Computer Physics Communications 54.
Journal Article
79, 241103(R), pp. 1 - 4 (2009)
Direct minimization technique for metals in density-functional theory. Physical Review B 55.
Journal Article
102 (1), 016402 (2009)
Fully ab initio finite-size corrections for charged defect supercell calculations. Physical Review Letters 56.
Journal Article
7, pp. 126 - 160 (2005)
Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound seminconductors. New Journal of Physics Conference Paper (3)
57.
Conference Paper
Cd and impurity redistribution at the p-n junction of CIGS based solar cells resolved by atom-probe tomography. In: Photovoltaic Specialist Conference (PVSC), pp. 1 - 6 (Ed. IEEE ). Photovoltaic Specialist Conference (PVSC), 2015 IEEE 42nd , New Orleans, LA, USA, June 14, 2015 - June 19, 2015. (2015)
58.
Conference Paper
248 (5), pp. 1067 - 1076 (2011)
Electrostatic interactions between charged defects in supercells. CECAM Workshop, Lausanne, Switzerland, June 08, 2009 - June 10, 2009. Physica Status Solidi B 59.
Conference Paper
A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, September 05, 2011 - September 08, 2011., (2011)
Talk (74)
60.
Talk
Pushing the limits of APT and FIM by pushing theoretical approaches. APT & M 2023, Leuven, Belgium (2023)