TU Darmstadt / ULB / TUbiblio

Browse by Person

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: No Grouping | Item Type | Date | Language
Number of items: 26.

Ghorbani, Elaheh and Erhart, Paul and Albe, Karsten :
New insights on the nature of impurity levels in V-doped In2S3: why is it impossible to obtain a metallic intermediate band?
[Online-Edition: http://dx.doi.org/10.1039/C9TA01629E]
In: Journal of Materials Chemistry A, 7 pp. 7745-7751. ISSN 2050-7488
[Article] , (2019)

Stukowski, Alexander and Fransson, Erik and Mock, Markus and Erhart, Paul :
Atomicrex—a general purpose tool for the construction of atomic interaction models.
[Online-Edition: http://doi.org/10.1088/1361-651X/aa6ecf]
In: Modelling and Simulation in Materials Science and Engineering, 25 (5) 055003 (1-9). ISSN 0965-0393
[Article] , (2017)

Erhart, Paul and Albe, Karsten :
Dopants and dopant–vacancy complexes in tetragonal lead titanate: A systematic first principles study.
[Online-Edition: http://dx.doi.org/10.1016/j.commatsci.2015.02.029]
In: Computational Materials Science, 103 pp. 224-230. ISSN 09270256
[Article] , (2015)

Erhart, Paul and Klein, Andreas and Åberg, Daniel and Sadigh, Babak :
Efficacy of the DFT + U formalism for modeling hole polarons in perovskite oxides.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.90.035204]
In: Physical Review B, 90 (3) 035204. ISSN 1098-0121
[Article] , (2014)
Note:

SFB 595 B7

Li, Shunyi and Chen, Feng and Schafranek, Robert and Bayer, Thorsten J. M. and Rachut, Karsten and Fuchs, Anne and Siol, Sebastian and Weidner, Mirko and Hohmann, Mareike and Pfeifer, Verena and Morasch, Jan and Ghinea, Cosmina and Arveux, Emmanuel and Günzler, Richard and Gassmann, Jürgen and Körber, Christoph and Gassenbauer, Yvonne and Säuberlich, Frank and Rao, Gutlapalli Venkata and Payan, Sandrine and Maglione, Mario and Chirila, Cristina and Pintilie, Lucian and Jia, Lichao and Ellmer, Klaus and Naderer, Michael and Reichmann, Klaus and Böttger, Ulrich and Schmelzer, Sebastian and Frunza, Raluca C. and Uršič, Hana and Malič, Barbara and Wu, Wen-Bin and Erhart, Paul and Klein, Andreas :
Intrinsic energy band alignment of functional oxides.
[Online-Edition: http://dx.doi.org/10.1002/pssr.201409034]
In: physica status solidi (RRL) - Rapid Research Letters, 8 (6) pp. 571-576. ISSN 18626254
[Article] , (2014)
Note:

SFB 595 B7

Genenko, Yuri A. and Hirsch, Ofer and Erhart, Paul :
Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields.
[Online-Edition: http://dx.doi.org/10.1063/1.4867984]
In: Journal of Applied Physics, 115 (10) p. 104102. ISSN 0021-8979
[Article] , (2014)
Note:

SFB 595 C5

Tramontina, Diego and Erhart, Paul and Germann, Timothy and Hawreliak, James and Higginbotham, Andrew and Park, Nigel and Ravelo, Ramón and Stukowski, Alexander and Suggit, Mathew and Tang, Yizhe and Wark, Justin and Bringa, Eduardo :
Molecular dynamics simulations of shock-induced plasticity in tantalum.
[Online-Edition: http://dx.doi.org/10.1016/j.hedp.2013.10.007]
In: High Energy Density Physics, 10 pp. 9-15. ISSN 15741818
[Article] , (2014)

Pfeifer, Verena and Erhart, Paul and Li, Shunyi and Rachut, Karsten and Morasch, Jan and Brötz, Joachim and Reckers, Philip and Mayer, Thomas and Rühle, Sven and Zaban, Arie and Mora Seró, Iván and Bisquert, Juan and Jaegermann, Wolfram and Klein, Andreas :
Energy Band Alignment between Anatase and Rutile TiO2.
[Online-Edition: http://dx.doi.org/10.1021/jz402165b]
In: The Journal of Physical Chemistry Letters, 4 (23) pp. 4182-4187. ISSN 1948-7185
[Article] , (2013)
Note:

SFB 595 B7

Erhart, Paul and Träskelin, Petra and Albe, Karsten :
Formation and switching of defect dipoles in acceptor-doped lead titanate: A kinetic model based on first-principles calculations.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.88.024107]
In: Physical Review B, 88 (2) 024107(1-10). ISSN 1098-0121
[Article] , (2013)
Note:

SFB 595 C1

Agoston, Peter and Erhart, Paul and Klein, Andreas and Albe, Karsten :
Geometry, electronic structure and thermodynamic stability of intrinsic point defects in indium oxide.
[Online-Edition: http://iopscience.iop.org/0953-8984/21/45/455801/]
In: Journal of Physics: Condensed Matter, 21 (45) pp. 455801-1. ISSN 0953-8984
[Article] , (2009)
Note:

SFB 595 Cooperation C2, D3

Erhart, Paul and Albe, Karsten :
Modeling the electrical conductivity in BaTiO3 on the basis of first-principles calculations.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v104/i4/p044315_s1]
In: J. Appl. Phys., 104 (4) 044315-044315-9.
[Article] , (2008)

Erhart, Paul and Albe, Karsten :
Modeling the electrical conductivity in BaTiO[sub 3] on the basis of first-principles calculations.
[Online-Edition: http://dx.doi.org/10.1063/1.2956327]
In: Journal of Applied Physics, 104 (4) 044315-1-044315-8. ISSN 00218979
[Article] , (2008)
Note:

SFB 595 C1

Eichel, Rüdiger-A. and Erhart, Paul and Träskelin, Petra and Albe, Karsten and Kungl, Hans and Hoffmann, Michael J. :
Defect-Dipole Formation in Copper-Doped PbTiO3 Ferroelectrics.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.100.095504]
In: Physical Review Letters, 100 (9) 095504-1. ISSN 0031-9007
[Article] , (2008)
Note:

SFB 595 Cooperation A2, B1, C2

Erhart, Paul and Eichel, Rüdiger-A. and Träskelin, Petra and Albe, Karsten :
Association of oxygen vacancies with impurity metal ions in lead titanate.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.76.174116]
In: Physical review / B, 76 (17) 174116-1-174116-12.
[Article] , (2007)
Note:

SFB 595 Cooperation B1, C1, C2

Erhart, Paul and Albe, Karsten :
Thermodynamics of mono- and di-vacancies in barium titanate.
[Online-Edition: http://dx.doi.org/10.1063/1.2801011]
In: Journal of Applied Physics, 102 (8) 084111-1. ISSN 00218979
[Article] , (2007)
Note:

SFB 595 C1

Mueller, Michael and Erhart, Paul and Albe, Karsten :
Thermodynamics of L1(0) ordering in FePt nanoparticles studied by Monte Carlo simulations based on an analytic bond-order potential.
[Online-Edition: http://prb.aps.org/abstract/PRB/v76/i15/e155412]
In: Phys. Rev. B, 76 (15)
[Article] , (2007)

Mueller, Michael and Erhart, Paul and Albe, Karsten :
Analytic bond-order potential for bcc and fcc iron - comparison with established embedded-atom method potentials.
[Online-Edition: http://iopscience.iop.org/0953-8984/19/32/326220/]
In: J. Phys.: Condens. Mater., 19 (32) 326220-1-326220-23.
[Article] , (2007)
Note:

SFB 595 C2

Erhart, Paul and Klein, Andreas and Egdell, Russell and Albe, Karsten :
Band structure of indium oxide: Indirect versus direct band gap.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.75.153205]
In: Physical Review B, 75 (15) pp. 153205-1. ISSN 1098-0121
[Article] , (2007)
Note:

SFB 595 Cooperation C2, D3

Erhart, Paul :
Intrinsic Point Defects in Zinc Oxide: Modeling of Structural, Electronic, Thermodynamic and Kinetic Properties.
[Online-Edition: urn:nbn:de:tuda-tuprints-7266]
Technische Universität , Darmstadt
[Ph.D. Thesis], (2006)

Erhart, Paul and Juslin, Niklas and Goy, Oliver and Nordlund, Kai and Müller, Ralf and Albe, Karsten :
Analytic bond-order potential for atomistic simulations of zinc oxide.
[Online-Edition: http://dx.doi.org/10.1088/0953-8984/18/29/003]
In: Journal of Physics: Condensed Matter, 18 (29) pp. 6585-6605. ISSN 0953-8984
[Article] , (2006)
Note:

SFB 595 Cooperation C2, C3

Erhart, Paul and Albe, Karsten and Klein, Andreas :
First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.73.205203]
In: Physical Review B, 73 (20) pp. 205203-1. ISSN 1098-0121
[Article] , (2006)
Note:

SFB 595 Cooperation C2, D3

Erhart, Paul and Albe, Karsten :
Diffusion of zinc vacancies and interstitials in zinc oxide.
[Online-Edition: http://dx.doi.org/10.1063/1.2206559]
In: Applied Physics Letters, 88 (20) 201918-1-201918-3. ISSN 00036951
[Article] , (2006)
Note:

SFB 595 C2

Erhart, Paul and Albe, Karsten :
First-principles study of migration mechanisms and diffusion of oxygen in zinc oxide.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.73.115207]
In: Physical Review B, 73 (11) pp. 115207-1. ISSN 1098-0121
[Article] , (2006)
Note:

SFB 595 C2

Erhart, Paul and Klein, Andreas and Albe, Karsten :
First-principles study of the structure and stability of oxygen defects in zinc oxide.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.72.085213]
In: Physical Review B, 72 (8) 085213-1-085213-7. ISSN 1098-0121
[Article] , (2005)
Note:

SFB 595 Cooperation C2, D3

Davila, L. P. and Erhart, Paul and Bringa, E. M. and Meyers, M. A. and Lubarda, V. A. and Schneider, M. S. and Becker, R. and Kumar, M. :
Atomistic modeling of shock-induced void collapse in copper.
In: Applied Physics Letters, 86 161902-1(1-3).
[Article] , (2005)

Bringa, E. M. and Cazamias, J. U. and Erhart, Paul and Stölken, J. and Tanushev, N. and Wirth, B. D. and Rudd, R. E. and Caturla, M. J. :
Atomistic shock Huoniot simulation of single-crystal copper.
In: Journal of applied physics, 96 p. 3793.
[Article] , (2004)

This list was generated on Sat May 25 02:24:20 2019 CEST.