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Limitierungen der p-Dotierbarkeit von Galliumnitrid: Eine Defektstudie von GaN:Mg auf Basis der Dichtefunktionaltheorie
Referees: Neugebauer, J.; Lischka, K.; Schmidt, W. G.
Advisors: Freysoldt, C.
Authors: Lange, B.
Name of University: Universität Paderborn
Place of University: Paderborn, Germany
Date of Approval (YYYY-MM-DD): 2012-08-29
Document Type: PhD-Thesis
ID: 619202.0
Quantitativly optimized atomic orbitals (QUAMOLs) - SxQuamol
Authors: Lange, B.; Freysoldt, C.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2012-02-17
Name of Conference/Meeting: 1st International S/PHI/nX Developers Convention
Place of Conference/Meeting: Erkrath, Germany
Document Type: Talk at Event
ID: 581688.0
Point-defect energetics from LDA, PBE, and HSE: Different functionals, different energetics?
Authors: Lange, B.; Freysoldt, C.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2012-01-23
Name of Conference/Meeting: 1.st Austrian/German Workshop on Computational Materials Design
Place of Conference/Meeting: Kramsach, Tyrol, Austria
Document Type: Talk at Event
ID: 578611.0
Quasiparticle band offsets of semiconductor heterojunctions from a generalized marker method
Authors: Mitra, C.; Lange, B.; Freysoldt, C.
Date of Publication (YYYY-MM-DD): 2011-11-23
Title of Journal: Physical Review B
Volume: 84
Issue / Number: 19
Start Page: 193304-1
End Page: 193304-4
Document Type: Article
ID: 573970.0
Construction and performance of fully numerical optimum atomic basis sets
Authors: Lange, B.; Freysoldt, C.; Neugebauer, J.
Date of Publication (YYYY-MM-DD): 2011-08-18
Title of Journal: Physical Review B
Volume: 84
Issue / Number: 8
Start Page: 085101-1
End Page: 085101-11
Document Type: Article
ID: 575347.0
Constructing optimized atomic basis-sets with PW accuracy
Authors: Lange, B.; Freysoldt, C.; Neugebauer, J.
(Start) Date of Event
(YYYY-MM-DD):
 2010-09-12
Name of Conference/Meeting: Psi-k Conference 2010
Document Type: Poster
ID: 498788.0
Constructing optimized atomic basis-sets with PW accuracy
Authors: Lange, B.; Freysoldt, C.; Neugebauer, J.
(Start) Date of Event
(YYYY-MM-DD):
 2010-06-28
Name of Conference/Meeting: Summer School: Computational Materials Science
Document Type: Poster
ID: 498789.0
Native and hydrogen-containing point defects in Mg3N2: A density functional theory study
Authors: Lange, B.; Freysoldt, C.; Neugebauer, J.
Date of Publication (YYYY-MM-DD): 2010-06-17
Title of Journal: Physical Review B
Volume: 81
Start Page: 224109
End Page: 224119
Document Type: Article
ID: 478747.1
Constructing fully numerical, quantitatively optimized atomic orbitals basis-sets
Authors: Lange, B.; Freysoldt, C.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2010-03-21
Name of Conference/Meeting: DPG Frühjahrstagung 2010
Place of Conference/Meeting: Regensburg, Germany
Document Type: Talk at Event
ID: 478746.0
Fully numerical orbitals as an analyzable Tight Binding Basis Set
Authors: Lange, B.; Freysoldt, C.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2010-01-25
Name of Conference/Meeting: Computational Materials Science on Complex Energy Landscapes Workshop
Place of Conference/Meeting: Imst, Austria
Document Type: Talk at Event
ID: 446189.0
Entries: 1-10  
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