Publications of Christoph Freysoldt
All genres
Journal Article (50)
41.
Journal Article
84, 245203, pp. 1 - 10 (2011)
Combined multifrequency EPR and DFT study of dangling bonds in a-Si:H. Physical Review B 42.
Journal Article
84 (19), 193304, pp. 1 - 4 (2011)
Quasiparticle band offsets of semiconductor heterojunctions from a generalized marker method. Physical Review B 43.
Journal Article
84 (8), 085101, pp. 1 - 11 (2011)
Construction and performance of fully numerical optimum atomic basis sets. Physical Review B 44.
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 45.
Journal Article
182 (3), pp. 543 - 554 (2011)
The object-oriented DFT program library S/PHI/nX. Computer Physics Communications 46.
Journal Article
81, 224109, pp. 1 - 10 (2010)
Native and hydrogen-containing point defects in Mg3N2: A density functional theory study. Physical Review B 47.
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 48.
Journal Article
79, 241103(R), pp. 1 - 4 (2009)
Direct minimization technique for metals in density-functional theory. Physical Review B 49.
Journal Article
102 (1), 016402 (2009)
Fully ab initio finite-size corrections for charged defect supercell calculations. Physical Review Letters 50.
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)
51.
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)
52.
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 53.
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 (68)
54.
Talk
Design and application of an ab initio electrochemical cell. virtual DPG-Frühjahrstagung (DPG Spring Meeting) of the Surface Science Division, Berlin, Germany (2021)
55.
Talk
Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. TMS 2021 Meeting, delivered online, Orlando, FL, USA (2021)
56.
Talk
High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
57.
Talk
High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
58.
Talk
Chemistry and Structure at Lattice Defects studied at the Atomic Scale. 4th Symposium Core Research Cluster Materials Science & 3rd Symposium on International Joint Graduate Program in Materials Science, Tohoku University, online, Tohoku, Japan (2020)
59.
Talk
Chemistry at Lattice Defects Probed at Atomic Scale. 20th International Union of Materials Research Societies International Conference in Asia IUMRS, Perth, Australia (2019)
60.
Talk
Ab initio description of coupling phenomena between magnetic and structural degrees of freedom. EASTMAG2019 – VII Euro-Asian Symposium “Trends in Magnetism”, Jekaterinburg, Russia (2019)