Book publication

"In-vitro Materials Design"

Publikations in Scientific Journals:

2017

F. Lazarevic, R.Leitsmann, M. Drescher, E. Erben, Ph. Plänitz, M. Schreiber "Nitrogen Engineering in the Ultrathin SiO2 Interface Layer of High- k CMOS Devices: A First-Principles Investigation of Fluorine, Oxygen, and Boron Defect Migration" IEEE Transactions on Electron Devices 64 (2017) 5073-5080
R.Leitsmann, F. Lazarevic, M. Drescher, and E. Erben, "Modeling the effects of lanthanum, nitrogen, and fluorine treatments of Si-SiON-HfO2-TiN gate stacks in 28 nm high-k-metal gate technology" J. Appl. Phys. 121 (2017) 234501

2016

O. Böhm, S. Pfadenhauer, R. Leitsmann, Ph. Plänitz, E. Schreiner, and M. Schreiber, "ReaxFF+: a new reactive force field method for the accurate description of ionic systems at the example of the hydrolysation of aluminosilicates" J. Phys. Chem. C 120 (2016) 10849 - DOI: 10.1021/acs.jpcc.6b00720

2015

R. Leitsmann, F. Lazarevic, E. Nadimi, R. Öttking, Ph. Plänitz, and E. Erben, "Charge transition levels of oxygen, lanthanum, and fluorine related defect structures in bulk hafnium dioxide (HfO2): An ab initio investigation" J. Appl. Phys. 117 (2015) 244503
M. Drescher, E. Erben, M. Trentzsch, C. Grass, M. Hempel, A. Naumann, J. Sundqvist, F. Lazarevic, R. Leitsmann, J. Schubert, J. Szillinski, A. Schäfer, S. Mantl, "Fluorine Interface Treatments within the Gate Stack for Defect Passivation in 28nm HKMG Technology" JVST B 33 (2015) 022204
R. Leitsmann, O. Böhm, Ph. Plänitz, and M. Schreiber, "Generation of reasonable atomic model structures of amorphous materials for atomic scale simulations",
Comp. Theo. Chem. 1059 (2015) 7

2014

R. Öttking, S. Kupke, E. Nadimi, R. Leitsmann, F. Lazarevic, G. Roll, S. Slesazeck, M. Trentzsch, and T. Mikolajick, "Defect generation and activation processes in HfO2 thin films: cuntributions to stress-induced leakage currents", phys. stat. sol. (a) 212 (2014) 547
J. Ocker, S. Kupke, S. Slesazeck, T. Mikolajick, E. Erben, M. Drescher, A. Naumann, F. Lazarevic, and R. Leitsmann, "Influence of nitrogen trap states on the electronic properties of high-k metal gate transistors", IEEE Integrated Reliability Workshop (2014) Print ISBN: 978-1-4799-7308-8, DOI: 10.1109/IIRW.2014.7049517

2013

R. Leitsmann, Ph. Plänitz, E. Nadimi and R. Öttking,"Oxygen Related Defects and the Reliability of High-k Dielectric Films in FETs ", IEEE Conference Proceedings (SCD) Print ISBN: 978-1-4799-1250-6, DOI: 10.1109/ISCDG.2013.6656327 (2013)
O. Böhm, R. Leitsmann, Ph. Plänitz, T. Oszinda, M. Schaller and M. Schreiber,"Novel k-restoring scheme for damaged ultra-low-k materials", Microelectronic Engineering 112 (2013) 63-66

2012

O. Böhm, R. Leitsmann, Ph. Plänitz, C. Radehaus, M. Schaller and M. Schreiber, "Silylation of silicon bonded hydroxyl groups by silazanes and siloxanes containing an acetoxy group. N-trimethylsilylimidazole vs. dimethyldiacstoxysilane", Comp. Theo. Chem. 991 (2012) 44
R. Leitsmann, O. Böhm, Ph. Plänitz, C. Radehaus, M. Schaller, and M. Schreiber, "Dissolution of CF-polymer films at ultra low-k surfaces using diluted HF", ECS-Journal of Solid Sci. and Technol. 1 (2012) N14

2011

R. Leitsmann, F. Chicker, Ph. Plänitz, C. Radehaus, U.Kretzer, M. Scheffer-Czyan, and S. Eichler, "Charge transition levels of boron and silicon impurities in GaAs", IEEE Conference Proceedings (SCD) Print ISBN: 978-1-4577-0431-4 (2011)
O. Böhm, R. Leitsmann, Ph. Plänitz, C. Radehaus, M. Schaller, and M. Schreiber, "k-Restoring Processes at Carbon Depleted Ultra Low-k Surfaces", J. Phys. Chem. A 115 (2011) 8282
R. Leitsmann, F. Chicker, Ph. Plänitz, C. Radehaus, U.Kretzer, M. Scheffer-Czyan, and S. Eichler, "Boron-Silicon complex defects in GaAs: an ab initio study", J. Appl. Phys. 109 (2011) 063533
R. Leitsmann and F. Bechstedt, "Ab initio characterization of electronic properties of PbTe quantum dots embedded in a CdTe matrix", Semicond. Sci and Technol. 26 (2011) 014005

2010

C. Panse, R. Leitsmann, and F. Bechstedt, "Magnetic interaction in pairwise Mn-doped Si nanocrystals", Phys. Rev. B 82 (2010) 125205
R. Leitsmann, O. Böhm, Ph. Plänitz, C. Radehaus, M. Schaller, and M. Schreiber, "Adsorption mechanims of fluorocarbon polymers at ultra low-k surfaces", Surf. Sci. 604 (2010) 1808
R. Leitsmann, F. Küwen, C.Rödl, C. Panse, and F. Bechstedt, "Influence of strong electron correlation on nanomagnetism: transition-metal doped Si nanocrystals", J. Chem. Theory Comput. 6 (2010) 353
R. Leitsmann, F. Bechstedt, H. Groiss, and F. Schäffler, "Stability of polar semiconductor heterostructures", physica status solidi (c) 7 (2010) 244

2009

R. Leitsmann and F. Bechstedt, "Electronic and optical properties of colloidal IV-VI semiconductor nanocrystals", ACS Nano, 3 (2009) 3505
R. Leitsmann and F. Bechstedt, "Influence of the quantum confined Stark effect on photoluminescence spectra of embedded nanodots", Phys. Rev. B 80 (2009) 165402
R. Leitsmann, C. Panse, F. Küwen, and F. Bechstedt, "Ab initio characterization of transition-metal doped Si nanocrystals", Phys. Rev. B 80 (2009) 104412
F. Küwen, R. Leitsmann, and F. Bechstedt, "Mn and Fe doping of bulk Si: Concentration influence on electronic and magnetic properties", Phys. Rev. B 80 (2009) 045203
H. Groiss, G. Hesser, W. Heiss, F. Schäffler, R. Leitsmann, F. Bechstedt, K. Koike, and M. Yano, "Coherent {001} interfaces between rocksalt and zinc-blende crystal structures", Phys. Rev. B 79 (2009) 235331, selected for Virtual Journal of Nanoscale Science and Technology 20 (6) 2009

2008

R. Leitsmann and F. Bechstedt, "Interplay of shape, interface structure and electrostatic ﬁelds of ionic nanodots embedded in a polar semiconductor matrix", Phys. Rev. B 78 (2008) 165320, selected for Virtual Journal of Nanoscale Science and Technology 18 (23) 2008
R. Leitsmann and F. Bechstedt, "Stability and geometry of free-standing III-V nanorods", J. Phys. Conf. 100 (2008) 052053

2007

R. Leitsmann, F. Bechstedt, H. Groiss, F. Schäfﬂer, W. Heiss, K. Koike, H. Harada, and M. Yano, "Structural and electronic properties of PbTe(rocksalt)/CdTe(zinc-blende) interfaces", Appl. Surf. Sci. 254 (2007) 397
R. Leitsmann and F. Bechstedt, "Electonic-structure calculations for polar lattice-structure-mismatched interfaces PbTe/CdTe(100)", Phys. Rev. B 76 (2007) 125315
R. Leitsmann and F. Bechstedt, "Surface influence on stability and structure of hexagon-shaped III-V semiconductor nanorods", J. Appl. Phys. 102 (2007) 063528
H. Groiss, W. Heiss, F. Schäfﬂer, R. Leitsmann, F. Bechstedt, K. Koike, H. Harada, and M. Yano, "The Coherent {100} and {110} Interfaces between Rocksalt-PbTe and Zincblende-CdTe", J. Crystal Growth 301-302 (2007) 671
W. Heiss, H. Groiss, E. Kaufmann, G. Hesser, M. Böberl, G. Springholz, F. Schäfﬂer, R. Leitsmann, F. Bechstedt, K. Koike, H. Harada, and M. Yano, "Quantum dots with coherent interfaces between rocksalt-PbTe and zincblende-CdTe", J. Appl. Phys. 101 (2007) 081723, selected for Virtual Journal of Nanoscale Science and Technology 15 (19) 2007

2006

R. Leitsmann, L.E. Ramos, F. Bechstedt, H. Groiss, F. Schäfﬂer, W. Heiss, Kazuto Koike, Hisahsi Harada, and Mitsuaki Yano, "Rebonding at coherent interfaces between rocksalt-PbTe/zinc-blende-CdTe", New J. Phys. 8 (2006) 317
W. Heiss, E. Kaufmann, M. Böberl, T. Schwarzl, G. Springholz, G.Hesser, F. Schäfﬂer, K. Koike, H. Harada, M. Yano, R. Leitsmann, L.E. Ramos, and F. Bechstedt, "Highly luminecent nanocrystal quantum dots fabricated by lattice-type mismatched epitaxy", Physica E 35 (2006) 241
R. Leitsmann, L.E. Ramos, and F. Bechstedt, "Structural properties of PbTe/CdTe interfaces", Phys. Rev. B 74 (2006) 085309, selected for Virtual Journal of Nanoscale Science and Technology 14 (79) 2006

2005

R. Leitsmann, W.G. Schmidt, P.H. Hahn, and F. Bechstedt, "Second-harmonic polarizability including electron-hole attraction from band-structure theory", Phys. Rev. B 71 (2005) 195209

Books and Book Contributions :

R. Leitsmann, P. Plänitz and M. Schreiber, "In-vitro Materials Design", ISBN: 978-3-527-33423-0, Wiley-VCH Juli (2015)
R. Leitsmann and F. Bechstedt, "Ab initio characterization of electronic properties of PbTe nanocrystals embedded in CdTe matrix", in "High Performance Computing in Science and Engineering ‘10", ISBN: 978-3-642-15747-9, Springer (2011)
C.Panse, R. Leitsmann, and F. Bechstedt, "Ab initio characterization of transition metal doped Si nanocrystals", in "High Performance Computing in Science and Engineering, Garching/Munich 2009", ISBN: 978-3-642-13871-3, Springer (2010)
R. Leitsmann, F. Ortmann, and F. Bechstedt, "Ab initio characterization of colloidal IV-VI semiconductor quantum dots", in "High Performance Computing in Science and Engineering ’09", ISBN: 978-3-642-04664-3, Springer (2010)
R. Leitsmann "Hetero- und Nanostrukturen ionischer Materialien", ISBN: 978-3-8381-0804-9, Südwestdt. Verlag (2009)
R. Leitsmann, F. Ortmann, and F. Bechstedt, "Ab initio Simulations of PbTe-CdTe Nanostructures", in "High Performance Computing in Science and Engineering ’08", ISBN: 978-3-540-88301-2, Springer (2009)
R. Leitsmann and F. Bechstedt, "Ab initio Simulations of PbTe-CdTe Nanostructures", in "High Performance Computing in Science and Engineering ’07", ISBN: 978-3-540-74738-3, Springer (2008)
R. Leitsmann, F. Fuchs, J. Furthmüller, and F. Bechstedt, "Large-Scale ab initio Simulations for embedded Nanodots", in "High Performance Computing on Vector Systems 2006", ISBN: 978-3-540-47692-4, Springer (2007)

last update Jan. 2013

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