Publications of Björn Lange

Freysoldt, C.; Lange, B.; Neugebauer, J.; Yan, Q.; Lyons, J. L.; Janotti, A.; Van de Walle, C. G.: Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B 93 (16), 165206 (2016)

Mitra, C.; Lange, B.; Freysoldt, C.: Quasiparticle band offsets of semiconductor heterojunctions from a generalized marker method. Physical Review B 84 (19), 193304, pp. 1 - 4 (2011)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Construction and performance of fully numerical optimum atomic basis sets. Physical Review B 84 (8), 085101, pp. 1 - 11 (2011)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Native and hydrogen-containing point defects in Mg₃N₂: A density functional theory study. Physical Review B 81, 224109, pp. 1 - 10 (2010)

Lange, B.; Posner, R.; Pohl, K.; Thierfelder, C.; Grundmeier, G.; Blankenburg, S.; Schmidt, W.G.: Water adsorption on hydrogenated Si(111) surfaces. Surface Science 603 (1), pp. 60 - 64 (2008)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Quantitativly optimized atomic orbitals (QUAMOLs) - SxQuamol. 1st International S/PHI/nX Developers Convention, Erkrath, Germany (2012)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Point-defect energetics from LDA, PBE, and HSE: Different functionals, different energetics? 1.st Austrian/German Workshop on Computational Materials Design, Kramsach, Tyrol, Austria (2012)

Freysoldt, C.; Lange, B.; Neugebauer, J.: Defect distributions at III-nitride interfaces from ab-initio-based thermodynamic data. DPG spring meeting, Regensburg, Germany (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing fully numerical, quantitatively optimized atomic orbitals basis-sets. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Fully numerical orbitals as an analyzable Tight Binding Basis Set. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Highly p-doped GaN:Mg! What hinders the thermal drive-out of hydrogen? 2. Klausurtagung des Graduierten Kollegs: Mikro und Nanostrukturen in der Optoelektronik, Bad Karlshafen, Germany (2009)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Role of the parasitic Mg₃N₂ phase in post-growth activation of p-doped Mg:GaN. DPG Frühjahrstagung, TU Dresden, Germany (2009)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Band dispersion effects in supercell calculations for defects. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Psi-k Conference 2010, Berlin, Germany (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Role of the parasitic Mg₃N₂ phase in post-groth activation of p-doped Mg:GaN. ICNS-8, Jeju Island, South Korea (2009)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Role of the parasitic Mg₃N₂ phase in post-growth activation of p-doped Mg:GaN. CECAM Workshop 09: Which Electronic Structure Method for the Study of Defects?, CECAM-HQ-EPFL, Lausanne, Switzerland (2009)

Lange, B.: Limitierungen der p-Dotierbarkeit von Galliumnitrid: Eine Defektstudie von GaN:Mg auf Basis der Dichtefunktionaltheorie. Dissertation, Universität Paderborn, Paderborn, Germany (2012)