Items in division

A

Agoston, Peter :
Point defect and surface properties of In2O3 and SnO2: A comparative study by first-principles methods.
[Online-Edition: urn:nbn:de:tuda-tuprints-27811]
TU Darmstadt , Darmstadt
[Ph.D. Thesis], (2011)

Agoston, Peter and Albe, Karsten :
Thermodynamic stability, stoichiometry, and electronic structure of bcc-In2O3 surfaces.
[Online-Edition: http://prb.aps.org/abstract/PRB/v84/i4/e045311]
In: Phys. Rev. B, 84 (045311) pp. 1-20.
[Article], (2011)
Note:

SFB 595 C2

Agoston, Peter and Albe, Karsten :
Disordered reconstructions of the reduced SnO2-(110) surface.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0039602811...]
In: Surf. Sci., 605 (7-8) pp. 714-722.
[Article], (2011)

Agoston, Peter and Albe, Karsten and Nieminen, Risto M. and Puska, Martti J. :
Comment on ``Intrinsic n-type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In2O3, SnO2, and ZnO{''} Reply.
[Online-Edition: http://prl.aps.org/abstract/PRL/v103/i24/e245501]
In: Phys. Rev. Lett., 106 (6) pp. 245501-1.
[Article], (2011)

Agoston, Peter and Koerber, Christoph and Klein, Andreas and Puska, Martti J. and Nieminen, Risto M. and Albe, Karsten :
Limits for n-type doping in In2O3 and SnO2: A theoretical approach by first-principles calculations using hybrid-functional methodology.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v108/i5/p053511_s1]
In: J. Appl. Phys., 108 (5) 053511. ISSN 0021-8979
[Article], (2010)

Agoston, Peter and Albe, Karsten :
Ab initio modeling of diffusion in indium oxide.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.81.195205]
In: Physical Review B, 81 (19) pp. 195205-11. ISSN 1098-0121
[Article], (2010)
Note:

SFB 595 C2

Agoston, Peter and Albe, Karsten and Nieminen, Risto M. and Puska, Martti J. :
Intrinsic n-Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In2O3, SnO2, and ZnO.
[Online-Edition: http://prl.aps.org/abstract/PRL/v103/i24/e245501]
In: Phys. Rev. Lett., 103 (24) pp. 245501-1.
[Article], (2009)

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: J. Phys: Cond. Mater., 21 (45) pp. 455801-1.
[Article], (2009)
Note:

SFB 595 Cooperation C2, D3

Agoston, Peter and Albe, Karsten :
Formation entropies of intrinsic point defects in cubic In2O3 from first-principles density functional theory calculations.
[Online-Edition: http://pubs.rsc.org/en/Content/ArticleLanding/2009/CP/b90028...]
In: Phys. Chem. Chem. Phys., 11 (17) pp. 3226-3232.
[Article], (2009)
Note:

SFB 595 C2

Albe, Karsten and Nord, J and Nordlund, K :
Dynamic charge-transfer bond-order potential for gallium nitride.
[Online-Edition: http://www.tandfonline.com/doi/abs/10.1080/14786430903313708]
In: Philos. Mag., 89 (34-36) pp. 3477-3497.
[Article], (2009)

Albe, Karsten and Müller, MIchael
Voigt, Axel (ed.) :
Cluster diffusion and island formation on fcc(111)metal surfaces.
In: Multiscale Modeling in Epitaxial Growth. Mini-Workshop at Mathematisches Forschungsinstitut Oberwolfach January 18–24, 2004, 149 (1). Birkhäuser Verlag , Basel , pp. 19-28. ISBN 978-3-7643-7208-8 ISSN 978-3-7643-7208-8
[Book Section], (2005)

Albe, K and Weirich, T E :
Structure and stability of alpha- and beta-Ti2Se. Electron diffraction versus density-functional theory calculations.
[Online-Edition: http://scripts.iucr.org/cgi-bin/paper?S0108767302018275]
In: Acta Crystal. A, Foundations of Crystallography, 59 (Part 1) pp. 18-21.
[Article], (2003)

Albe, K and Klein, A :
Density-functional-theory calculations of electronic band structure of single-crystal and single-layer {WS}2.
[Online-Edition: http://prb.aps.org/abstract/PRB/v66/i7/e073413]
In: Phys. Rev. B, 66 (7) 073413-1-073413-3.
[Article], (2002)

Albe, K and Nordlund, K and Nord, J and Kuronen, A :
Modeling of compound semiconductors: Analytical bond-order potential for Ga, As, and GaAs.
[Online-Edition: http://prb.aps.org/abstract/PRB/v66/i3/e035205]
In: Phys. Rev. B, 66 (3) 035205-1-035205-14.
[Article], (2002)

Albe, K and Nordlund, K and Averback, R S :
Modeling the metal-semiconductor interaction: Analytical bond-order potential for platinum-carbon.
[Online-Edition: http://prb.aps.org/abstract/PRB/v65/i19/e195124]
In: Phys. Rev. B, 65 (19) 195124-1-195124-11.
[Article], (2002)

Ashkenazy, Y and Averback, R S and Albe, K :
Nanocluster rotation on {P}t surfaces: twist boundaries.
[Online-Edition: http://prb.aps.org/abstract/PRB/v64/i20/e205409]
In: Phys. Rev. B, 64 (20) p. 205409.
[Article], (2001)

Albe, Karsten and Benedek, R. and Averback, R.S. and Seidman, D.N. :
Classical interatomic potential for Nb-alumina interfaces.
[Online-Edition: http://dx.doi.org/10.1557/PROC-654-AA4.3.1]
In: 2000 MRS Fall Meeting. In: Materials Research Society: Fall Meeting 2000. - Warendale, PA: MRS, 2001.- (MRS proceedings ; 654).- S. AA4.3.2 , 654 . MRS , Warendale, PA
[Conference or Workshop Item], (2000)

Albe, K and Moller, W :
Modelling of boron nitride: Atomic scale simulations on thin film growth.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0927025697...]
In: Comp. Mat. Sci., 10 (1-4) pp. 111-115.
[Article], (1998)

Albe, K :
Theoretical study of boron nitride modifications at hydrostatic pressures.
[Online-Edition: http://prb.aps.org/abstract/PRB/v55/i10/p6203_1]
In: Phys. Rev. B, 55 (10) pp. 6203-6210.
[Article], (1997)

Albe, K and Möller, W and Heinig, K.--H. :
Computer simulation and boron nitride.
In: Radiation effects and defects in solids, 141 (1-4) pp. 85-97.
[Article], (1997)

B

Brickmann, Jürgen and Borosch, Thorsten and Albe, Karsten :
Wege zu neuen Einsichten.
In: GIT : Laborfachzeitschrift, 48 p. 474.
[Article], (2004)

Busse, C and Polop, C and Muller, M and Albe, K and Linke, U and Michely, T :
Stacking-fault nucleation on {I}r(111).
[Online-Edition: http://prl.aps.org/abstract/PRL/v91/i5/e056103]
In: Phys. Rev. Lett., 91 (5) 56103-1-56103-4.
[Article], (2003)

D

Diehm, P. Manuel and Ágoston, Péter and Albe, Karsten :
Size-Dependent Lattice Expansion in Nanoparticles: Reality or Anomaly?
[Online-Edition: http://dx.doi.org/10.1002/cphc.201200257]
In: ChemPhysChem, 13 (10) pp. 2443-2454. ISSN 14394235
[Article], (2012)
Note:

SFB 595 C1

E

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)

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

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) 153205-1-153205-4. ISSN 1098-0121
[Article], (2007)
Note:

SFB 595 Cooperation C2, D3

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) 205203-1-205203-9. ISSN 1098-0121
[Article], (2006)
Note:

SFB 595 Cooperation C2, D3

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, P and Albe, K :
Molecular dynamics simulations of gas phase condensation of silicon carbide nanoparticles.
[Online-Edition: http://onlinelibrary.wiley.com/doi/10.1002/adem.200500119/ab...]
In: Adv. Eng. Mat., 7 (10) pp. 937-945.
[Article], (2005)

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

Erhart, P and Bringa, E M and Kumar, M and Albe, K :
Atomistic mechanism of shock-induced void collapse in nanoporous metals.
[Online-Edition: http://prb.aps.org/abstract/PRB/v72/i5/e052104]
In: Phys. Rev. B, 72 (5) 052104-1.
[Article], (2005)

Erhart, P and Albe, K :
Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide.
[Online-Edition: http://prb.aps.org/abstract/PRB/v71/i3/e035211]
In: Phys. Rev. B, 71 (3) 035211-1-035211-14.
[Article], (2005)

Erhart, P and Albe, K :
The role of thermostats in modeling vapor phase condensation of silicon nanoparticles.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0169433203...]
In: Appl. Surf. Sci., 226 (1-3) pp. 12-18.
[Article], (2004)

F

Fähler, Sebastian and Rößler, Ulrich K. and Kastner, Oliver and Eckert, Jürgen and Eggeler, Gunther and Emmerich, Heike and Entel, Peter and Müller, Stefan and Quandt, Eckhard and Albe, Karsten :
Caloric Effects in Ferroic Materials: New Concepts for Cooling.
[Online-Edition: http://onlinelibrary.wiley.com/doi/10.1002/adem.201100178/ab...]
In: Advanced Engineering Materials, 14 (1-2) pp. 10-19.
[Article], (2012)

G

Gröting, Melanie and Kornev, Igor and Dkhil, Brahim and Albe, Karsten :
Pressure-induced phase transitions and structure of chemically ordered nanoregions in the lead-free relaxor ferroelectric Na_{1/2}Bi_{1/2}TiO_{3}.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.86.134118]
In: Physical Review B, 86 (13) 134118(1-10). ISSN 1098-0121
[Article], (2012)
Note:

SFB 595 C1

Gröting, Melanie and Hayn, Silke and Albe, Karsten :
Chemical order and local structure of the lead-free relaxor ferroelectric (Na1/2Bi1/2)TiO3.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0022459611...]
In: Journal of Solid State Chemistry, 184 (8) pp. 2041-2046.
[Article], (2011)
Note:

SFB 595 C1

Genenko, Yuri A. :
Macroscopic electromagnetic properties of superconductor/soft-magnet heteristructures.

[Habilitation], (2011)

Gross, Dietmar and Müller, Ralf and Müller, Michael and Xu, Bai-Xiang and Albe, Karsten :
On the origin of inhomogeneous stress and strain distributions in single-crystalline metallic nanoparticles.
[Online-Edition: http://dx.doi.org/10.3139/146.110516]
In: International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde), 102 (06) pp. 743-747. ISSN 18625282
[Article], (2011)

Gan, Yanjie and Kotakoski, J and Krasheninnikov, A V and Nordlund, K and Banhart, F :
The diffusion of carbon atoms inside carbon nanotubes.
[Online-Edition: http://iopscience.iop.org/1367-2630/10/2/023022/]
In: New J. Phys., 10 023022-1.
[Article], (2008)

H

Hohmann, Mareike V and Ágoston, Péter and Wachau, André and Bayer, Thorsten J M and Brötz, Joachim and Albe, Karsten and Klein, Andreas :
Orientation dependent ionization potential of In2O3: a natural source for inhomogeneous barrier formation at electrode interfaces in organic electronics.
[Online-Edition: http://dx.doi.org/10.1088/0953-8984/23/33/334203]
In: Journal of Physics: Condensed Matter, 23 (33) 334203(1-8). ISSN 0953-8984
[Article], (2011)
Note:

SFB 595 D3

Hu, X Y and Albe, K and Averback, R S :
Molecular-dynamics simulations of energetic {C}-60 impacts on (2x1)-(100) silicon.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v88/i1/p49_s1]
In: J. Appl. Phys., 88 (1) pp. 49-54.
[Article], (2000)

Hu, X. and Albe, Karsten and Averback, R. S. :
Molecular dynamics simulations of energetic C60 impacts on (2x1)-(100) silicon.
In: Journal of applied physics, 88 p. 49.
[Article], (2000)

J

Jarvi, T T and Kuronen, A and Nordlund, K and Albe, K :
Damage production in nanoparticles under light ion irradiation.
[Online-Edition: http://prb.aps.org/abstract/PRB/v80/i13/e132101]
In: Phys. Rev. B, 80 (13) pp. 132101-1.
[Article], (2009)

Jarvi, T T and Kuronen, A and Nordlund, K and Albe, K :
Low energy cluster deposition of nanoalloys.
[Online-Edition: http://prb.aps.org/abstract/PRB/v75/i11/e115422]
In: J. Appl. Phys., 106 (6) 063516-2.
[Article], (2009)

Jaervi, T T and Pohl, D and Albe, K and Rellinghaus, B and Schultz, L and Fassbender, J and Kuronen, A and Nordlund, K :
From multiply twinned to fcc nanoparticles via irradiation-induced transient amorphization.
[Online-Edition: http://iopscience.iop.org/0295-5075/85/2/26001/]
In: Europhys. Lett., 85 (2) 26001-p1.
[Article], (2009)

Jin, Z -H. and Gumbsch, P. and Albe, K. and Ma, E. and Lu, K. and Gleiter, H. and Hahn, H. :
Interactions between non-screw lattice dislocations and coherent twin boundaries in face-centered cubic metals.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645407...]
In: Acta Mater., 56 (5) pp. 1126-1135.
[Article], (2008)

Jarvi, T T and Kuronen, A and Nordlund, K and Albe, K :
Structural modification of a multiply twinned nanoparticle by ion irradiation: A molecular dynamics study.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v102/i12/p124304_s1]
In: J. Applied Physics, 102 (12) pp. 124304-2. ISSN 0021-8979
[Article], (2007)

Jarvi, T T and Kuronen, A and Meinander, K and Nordlund, K and Albe, K :
Contact epitaxy by deposition of Cu, Ag, Au, Pt, and Ni nanoclusters on (100) surfaces: Size limits and mechanisms.
[Online-Edition: http://prb.aps.org/abstract/PRB/v75/i11/e115422]
In: Phys. Rev. B, 75 (11) pp. 115422-1.
[Article], (2007)

Jin, Z. H. and Gumbsch, P. and Ma, E. and Albe, K. and Lu, K. and Hahn, H. and Gleiter, H. :
The interaction mechanism of screw dislocations with coherent twin boundaries in different face-centred cubic metals.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359646205...]
In: Scripta Materialia, 54 (6) pp. 1163-1168.
[Article], (2006)

Juslin, N and Erhart, P and Traskelin, P and Nord, J and Henriksson, K O E and Nordlund, K and Salonen, E and Albe, K :
Analytical interatomic potential for modeling nonequilibrium processes in the W-C-H system.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v98/i12/p123520_s1]
In: J. Appl. Phys., 98 (12) pp. 123520-1. ISSN 0021-8979
[Article], (2005)
Note:

SFB 595 C2

Jager, H U and Albe, K :
Molecular-dynamics simulations of steady-state growth of ion-deposited tetrahedral amorphous carbon films.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v88/i2/p1129_s1]
In: J. Appl. Phys., 88 (2) pp. 1129-1135. ISSN 0021-8979
[Article], (2000)

K

Koerber, Christoph and Wachau, Andre and Agoston, Peter and Albe, Karsten and Klein, Andreas :
Self-limited oxygen exchange kinetics at SnO2 surfaces.
[Online-Edition: http://pubs.rsc.org/en/Content/ArticleLanding/2011/CP/c0cp01...]
In: Phys. Chem. Chem. Phys., 13 (8) pp. 3223-3226.
[Article], (2011)
Note:

SFB 595 D3

Kling, Jens and Hayn, Silke and Schmitt, Ljubomira A. and Gröting, Melanie and Kleebe, Hans-Joachim and Albe, Karsten :
A-site occupancy in the lead-free (Bi[sub 1/2]Na[sub 1/2]TiO[sub 3])[sub 0.94]–(BaTiO[sub 3])[sub 0.06] piezoceramic: Combining first-principles study and TEM.
[Online-Edition: http://dx.doi.org/10.1063/1.3437631]
In: Journal of Applied Physics, 107 (11) p. 114113. ISSN 0021-8979
[Article], (2010)
Note:

SFB 595 Cooperation B3, C1

Körber, Christoph and Ágoston, Péter and Klein, Andreas :
Surface and bulk properties of sputter deposited undoped and Sb-doped SnO2 thin films.
[Online-Edition: http://dx.doi.org/10.1016/j.snb.2009.03.067]
In: Sensors and Actuators B: Chemical, 139 (2) pp. 665-672. ISSN 09254005
[Article], (2009)
Note:

SFB 595 Cooperation C2, D3

Kotakoski, J and Albe, K :
First-principles calculations on solid nitrogen: A comparative study of high-pressure phases.
[Online-Edition: http://prb.aps.org/abstract/PRB/v77/i14/e144109]
In: Phys. Rev. B, 77 (14) p. 144109.
[Article], (2008)

Krasnochtchekov, P and Albe, K and Ashkenazy, Y and Averback, R S :
Molecular-dynamics study of the density scaling of inert gas condensation.
[Online-Edition: http://jcp.aip.org/resource/1/jcpsa6/v123/i15/p154314_s1]
In: J. Chem. Phys., 123 (15) pp. 154314-1. ISSN 0021-9606
[Article], (2005)

Krasnochtchekov, P and Albe, K and Averback, R S :
Simulations of the inert gas condensation processes.
In: Z. Metallkde., 94 (10) pp. 1098-1105. ISSN 0044-3093
[Article], (2003)

L

Li, W N and Duan, H L and Albe, K and Weissmueller, J :
Line stress of step edges at crystal surfaces.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0039602811...]
In: Surface Science, 605 (9-10) pp. 947-957.
[Article], (2011)

Laubach, Sonja and Laubach, Stefan and Schmidt, Peter C and Groeting, Melanie and Albe, Karsten and Jaegermann, Wolfram and Wolf, Walter :
Structure, Electronic Structure and Defect Formation Energies of LixCo1-yNiyO2 as a Function of x (0 < x < 1) and y (y=0, 0.5, 1).
[Online-Edition: http://www.oldenbourg-link.com/doi/abs/10.1524/zpch.2009.608...]
In: Phys. Chem. Chem. Phys., 223 (10-11) pp. 1327-1340.
[Article], (2009)

M

Ma, Yanming and Oganov, Artem R and Li, Zhenwei and Xie, Yu and Kotakoski, Jani :
Novel High Pressure Structures of Polymeric Nitrogen.
[Online-Edition: http://prl.aps.org/abstract/PRL/v102/i6/e065501]
In: Phys. Rev. Lett., 102 (6) 065501-1.
[Article], (2009)

Mueller, Michael and Albe, Karsten :
Structural stability of multiply twinned FePt nanoparticles.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645407...]
In: Acta Materialia, 55 (19) pp. 6617-6626.
[Article], (2007)

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

Mueller, Michael and Albe, Karsten :
Concentration of thermal vacancies in metallic nanoparticles.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645407...]
In: Acta Materialia, 55 (9) pp. 3237-3244.
[Article], (2007)

Müller, M and Albe, K :
Lattice Monte Carlo simulations of FePt nanoparticles: Influence of size, composition, and surface segregation on order-disorder phenomena.
[Online-Edition: http://prb.aps.org/abstract/PRB/v72/i9/e094203]
In: Phys. Rev. B, 72 (9) 094203-1-094203-10.
[Article], (2005)

Muller, M and Albe, K and Busse, C and Thoma, A and Michely, T :
Island shapes, island densities, and stacking-fault formation on Ir(III): Kinetic Monte Carlo simulations and experiments.
In: Phys. Rev. B, 71 (7) 075407-1-075407-8. ISSN 1098-0121
[Article], (2005)

Müller, MIchael and Albe, Karsten :
Monte Carlo Simulations of thermodynamic properties of FePt nanoparticles.
In: Materials Research Society Spring Meeting <San Francisco,2005> .
[Conference or Workshop Item], (2005)

Mayr, S G and Ashkenazy, Y and Albe, K and Averback, R S :
Mechanisms of radiation-induced viscous flow: Role of point defects.
[Online-Edition: http://prl.aps.org/abstract/PRL/v90/i5/e055505]
In: Phys. Rev. Lett., 90 (5) 055505-1.
[Article], (2003)

N

Nordlund, K and Krasheninnikov, A and Juslin, N and Nord, J and Albe, K :
Structure and stability of non-molecular nitrogen at ambient pressure.
[Online-Edition: http://iopscience.iop.org/0295-5075/65/3/400/]
In: Europhys. Lett., 65 (3) pp. 400-406.
[Article], (2004)

Nordlund, K. and Nord, J. and Krasheninnikov, A. V. and Albe, Karsten :
Atomic-scale simulations of radiation effects in GaN and carbon nanotubes.
In: MRS proceedings, 792 R6.6.
[Article], (2004)

Nord, J and Albe, K and Erhart, P and Nordlund, K :
Modelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitride.
[Online-Edition: http://iopscience.iop.org/0953-8984/15/32/324/]
In: J. Phys.: Condens. Matter., 15 (32) pp. 5649-5662.
[Article], (2003)
Note:

SFB 595 C2

Nord, J. and Nordlund, K. and Keinonen, J. and Albe, K. :
Molecular dynamics study of defect formation in GaN cascades.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0168583X02...]
In: Nucl. Instr. Meth. B, 202 pp. 93-99. ISSN 0168-583X
[Article], (2003)

P

Pohl, Johan and Stahl, Christian and Albe, Karsten :
Size-dependent phase diagrams of metallic alloys: A Monte Carlo simulation study on order-disorder transitions in Pt-Rh nanoparticles.
[Online-Edition: http://www.beilstein-journals.org/bjnano/single/articleFullT...]
In: Beilstein Journal of Nanotechnology, 3 pp. 1-11.
[Article], (2012)

Pohl, Johan and Albe, Karsten :
ERRATUM: "Thermodynamics and kinetics of the copper vacancy in CuInSe, CuGaSe2, CuInS2, and CuGaS2 from screened-exchange hybrid density functional theory".
[Online-Edition: http://jap.aip.org/resource/1/japiau/v110/i10/p109905_s1]
In: J. Appl. Phys., 110 (10) 109905-1-109905-2.
[Article], (2011)

Pohl, Johan and Klein, Andreas and Albe, Karsten :
Role of copper interstitials in CuInSe2: First-principles calculations.
[Online-Edition: http://prb.aps.org/abstract/PRB/v84/i12/e121201]
In: Phys. Rev. B (Rapid Comm.), 84 (12) p. 121201.
[Article], (2011)

Pohl, Johan and Albe, Karsten :
Void formation in melt-grown silicon studied by molecular dynamics simulations: From grown-in faulted dislocation loops to vacancy clusters.
[Online-Edition: http://apl.aip.org/resource/1/applab/v99/i8/p081910_s1]
In: App. Phys. Lett., 99 (8) 081910.
[Article], (2011)

Pohl, Johan and Albe, Karsten :
Thermodynamics and kinetics of the copper vacancy in CuInSe2, CuGaSe2, CuInS2, and CuGaS2 from screened-exchange hybrid density functional theory.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v110/i10/p109905_s1]
In: J. Appl. Phys., 108 (2) pp. 109905-1. ISSN 0021-8979
[Article], (2010)

Pohl, Johan and Mueller, Michael and Seidl, Albrecht and Albe, Karsten :
Formation of parallel (111) twin boundaries in silicon growth from the melt explained by molecular dynamics simulations.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0022024809...]
In: J. Cryst. Growth, 312 (8) pp. 1411-1415.
[Article], (2010)

Pohl, Johan and Albe, Karsten :
Phase equilibria and ordering in solid Pt-Rh calculated by means of a refined bond-order simulation mixing model.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645409...]
In: Acta Materialia, 57 (14) pp. 4140-4147.
[Article], (2009)

R

Ritter, Yvonne and Albe, Karsten :
Chemical and topological order in shear bands of Cu64Zr36 and Cu36Zr64 glasses.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v111/i10/p103527_s1]
In: J. Appl. Phys., 111 (10) p. 103527. ISSN 0021-8979
[Article], (2012)

Ruiz, H. S. and Badía-Majós, A. and Genenko, Y. and Rauh, H. and Yampolskii, S .V. :
Superconducting wire subject to synchronous oscillating excitations: Power dissipation, magnetic response, and low-pass filtering.
[Online-Edition: http://dx.doi.org/10.1063/1.3693614]
In: Appl. Phys. Lett., 100 (11) 112602-1-112602-5.
[Article], (2012)

Ritter, Yvonne and Albe, Karsten :
Thermal annealing of shear bands in deformed metallic glasses: Recovery mechanisms in Cu64/Zr36/studied by molecular dynamics simulations.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645411...]
In: Acta Materialia, 59 (18) pp. 7082-7094.
[Article], (2011)

Ritter, Yvonne and Sopu, Daniel and Gleiter, Herbert and Albe, Karsten :
Structure, stability and mechanical properties of internal interfaces in Cu64Zr36 nanoglasses studied by MD simulations.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645411...]
In: Acta Materialia, 59 (17) pp. 6588-6593.
[Article], (2011)

S

Schäfer, Jonathan :
Atomistic simulations of plasticity in nanocrystalline alloys.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/id/eprint/3354]
TU Darmstadt , Darmstadt
[Ph.D. Thesis], (2013)

Schäfer, Jonathan and Albe, Karsten :
Competing deformation mechanisms in nanocrystalline metals and alloys: Coupled motion versus grain boundary sliding.
[Online-Edition: http://dx.doi.org/10.1016/j.actamat.2012.07.044]
In: Acta Materialia, 60 (17) pp. 6076-6085.
[Article], (2012)

Schäfer, Jonathan and Ashkenazy, Yinon and Albe, Karsten and Averback, Robert S. :
Effect of solute segregation on thermal creep in dilute nanocyrstalline Cu alloys.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0921509312...]
In: Materials Science and Engineering A, 546 (307) pp. 307-313.
[Article], (2012)

Schäfer, Jonathan and Albe, Karsten :
Influence of solutes on the competition between mesoscopic grain boundary sliding and coupled grain boundary motion.
[Online-Edition: http://dx.doi.org/10.1016/j.scriptamat.2011.11.031]
In: Scripta Materialia, 66 (5) pp. 315-317.
[Article], (2012)

Sopu, Daniel :
Molecular Dynamics Simulations of Metallic Nanoglasses.
[Online-Edition: urn:nbn:de:tuda-tuprints-28453]
TU Darmstadt
[Ph.D. Thesis], (2011)

Sopu, Daniel and Kotakoski, Jani and Albe, Karsten :
Finite-size effects in the phonon density of states of nanostructured germanium: A comparative study of nanoparticles, nanocrystals, nanoglasses, and bulk phases.
[Online-Edition: http://prb.aps.org/abstract/PRB/v83/i24/e245416]
In: Physical Review B, 83 (24) p. 245416.
[Article], (2011)

Schäfer, Jonathan and Stukowski, Alexander and Albe, Karsten :
Plastic deformation of nanocrystalline Pd-Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645411...]
In: Acta Mater., 59 (8) pp. 2957-2968.
[Article], (2011)

Sopu, D and Ritter, Y and Gleiter, H and Albe, K :
Deformation behavior of bulk and nanostructured metallic glasses studied via molecular dynamics simulations.
[Online-Edition: http://prb.aps.org/abstract/PRB/v83/i10/e100202]
In: Phys. Rev. B, 83 (10) pp. 100202-4.
[Article], (2011)

Stukowski, A and Albe, K and Farkas, D :
Nanotwinned fcc metals: Strengthening versus softening mechanisms.
[Online-Edition: http://prb.aps.org/abstract/PRB/v82/i22/e224103]
In: Phys. Rev. B, 82 (22) p. 224103.
[Article], (2010)

Stukowski, Alexander and Albe, Karsten :
Extracting dislocations and non-dislocation crystal defects from atomistic simulation data.
[Online-Edition: http://iopscience.iop.org/0965-0393/18/8/085001/]
In: Mod. Sim. Mat. Sci. Eng., 18 (8) 085001-13.
[Article], (2010)

Suffner, Jens and Agoston, Peter and Kling, Jens and Hahn, Horst :
Chemical vapor synthesis of fluorine-doped SnO2 (FTO) nanoparticles.
[Online-Edition: http://www.springerlink.com/content/n33036978k770mm8/]
In: J. Nanoparticle Res., 12 (7) pp. 2579-2588. ISSN 1388-0764
[Article], (2010)

Suffner, Jens and Ágoston, Péter and Kling, Jens and Hahn, Horst :
Chemical vapor synthesis of fluorine-doped SnO2 (FTO) nanoparticles.
[Online-Edition: http://dx.doi.org/10.1007/s11051-009-9827-3]
In: Journal of Nanoparticle Research, 12 (7) pp. 2579-2588. ISSN 1388-0764
[Article], (2010)

Stukowski, Alexander and Albe, Karsten :
Dislocation detection algorithm for atomistic simulations.
[Online-Edition: http://iopscience.iop.org/0965-0393/18/2/025016/]
In: Mod. Sim. Mat. Sci. Eng., 18 (2) 025016-15.
[Article], (2010)

Sopu, D and Albe, K and Ritter, Y and Gleiter, H :
From nanoglasses to bulk massive glasses.
[Online-Edition: http://apl.aip.org/resource/1/applab/v94/i19/p191911_s1]
In: Appl. Phys. Lett., 94 (19) pp. 191911-2. ISSN 0003-6951
[Article], (2009)

Stukowski, A and Markmann, J and Weissmueller, J and Albe, K :
Atomistic origin of microstrain broadening in diffraction data of nanocrystalline solids.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645408...]
In: Acta Materialia, 57 (5) pp. 1648-1654.
[Article], (2009)

T

Tolvanen, A and Kotakoski, J and Krasheninnikov, A V and Nordlund, K :
Relative abundance of single and double vacancies in irradiated single-walled carbon nanotubes.
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In: Appl. Phys. Lett., 91 (17) p. 173109. ISSN 0003-6951
[Article], (2007)

V

Vo, N. Q. and Schäfer, J. and Averback, R. S. and Albe, K. and Askenazy, Y. and Bellon, P. :
Reaching theoretical strengths in nanocrystalline Cu by grain boundary doping.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359646211...]
In: Scripta Materialia, 65 (8) pp. 660-663.
[Article], (2011)

Voegeli, W and Albe, K and Hahn, H :
Simulation of grain growth in nanocrystalline nickel induced by ion irradiation.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0168583X02...]
In: Nucl. Instr. Meth. B, 202 pp. 230-235.
[Article], (2003)

Z

Zhao, Shi-Jin and Albe, Karsten and Hahn, Horst :
Grain size dependence of the bulk modulus of nanocrystalline nickel.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359646206...]
In: Scripta Materialia, 55 (5) pp. 473-476.
[Article], (2006)

Zhong, Y and Ashkenazy, Y and Albe, K and Averback, R S :
Ion beam smoothening of metal surfaces.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v94/i7/p4432_s1]
In: J. Appl. Phys., 94 (7) pp. 4432-4439.
[Article], (2003)