Publications from the Defect Chemistry and Spectroscopy group
Journal Article (5)
1.
Journal Article
84, 245203, pp. 1 - 10 (2011)
Combined multifrequency EPR and DFT study of dangling bonds in a-Si:H. Physical Review B 2.
Journal Article
84 (19), 193304, pp. 1 - 4 (2011)
Quasiparticle band offsets of semiconductor heterojunctions from a generalized marker method. Physical Review B 3.
Journal Article
84 (8), 085101, pp. 1 - 11 (2011)
Construction and performance of fully numerical optimum atomic basis sets. Physical Review B 4.
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 5.
Journal Article
182 (3), pp. 543 - 554 (2011)
The object-oriented DFT program library S/PHI/nX. Computer Physics Communications Conference Paper (2)
6.
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 7.
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 (6)
8.
Talk
The dangling-bond defect in amorphous silicon: Insights from theoretical calculations of the EPR parameters. Workshop on Advanced EPR for material and solar energy research, Berlin, Germany (2011)
9.
Talk
The Dangling-Bond Defect in Amorphous Silicon: Statistical Random Versus Kinetically Driven Defect Geometries. 24th International Conference on Amorphous and Nanocrystalline Semiconductors (ICANS 24), Nara, Japan (2011)
10.
Talk
A Detailed Investigation of Native and Light-induced Defects in Hydrogenated Amorphous Silicon by Electron-spin Resonance. MRS Spring Meeting and Exhibit 2011, San Francisco, CA, USA (2011)
11.
Talk
EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. APS march meeting 2011, Dallas, TX, USA (2011)
12.
Talk
Quasiparticle band offsets at heterojunctions from GW superlattice calculations. DPG Frühjahrstagung 2011, Dresden, Germany (2011)
13.
Talk
EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. DPG spring meeting 2011, Dresden, Germany (2011)
Poster (3)
14.
Poster
Ab initio EPR parameters for dangling-bond defect complexes in crystalle silion: The role of the Jahn-Teller distortion. Workshop on Advanced EPR for material and solar energy research, Berlin, Germany (2011)
15.
Poster
EPR parameters of the dangling bond defect in crystalline and amorphous silicon: A DFT-study. Euromat 2011, Montpellier, France (2011)
16.
Poster
EPR parameters of the dangling bond defect in crystalline and amorphous silicon: A DFT-study. MultiScale Modelling of Amorphous Materials: From Structure to Mechanical Properties, Dublin, Ireland (2011)