Jacob Gavartin
Jacob Gavartin
Materials Science Lead at Schrodinger Inc
Verified email at schrodinger.com
Title
Cited by
Cited by
Year
Negative oxygen vacancies in as charge traps in high- stacks
JL Gavartin, D Muņoz Ramo, AL Shluger, G Bersuker, BH Lee
Applied Physics Letters 89 (8), 082908, 2006
3022006
Trapping, self-trapping and the polaron family
AM Stoneham, J Gavartin, AL Shluger, AV Kimmel, DM Ramo, ...
Journal of Physics: Condensed Matter 19 (25), 255208, 2007
2152007
Spectroscopic properties of oxygen vacancies in monoclinic Hf O 2 calculated with periodic and embedded cluster density functional theory
DM Ramo, JL Gavartin, AL Shluger, G Bersuker
Physical Review B 75 (20), 205336, 2007
2132007
The role of nitrogen-related defects in high- dielectric oxides: Density-functional studies
JL Gavartin, AL Shluger, AS Foster, GI Bersuker
Journal of Applied Physics 97 (5), 053704, 2005
1772005
Theoretical prediction of intrinsic self-trapping of electrons and holes in monoclinic HfO 2
DM Ramo, AL Shluger, JL Gavartin, G Bersuker
Physical review letters 99 (15), 155504, 2007
1642007
Electronic properties of structural defects at the MgO (001) surface
PV Sushko, JL Gavartin, AL Shluger
The Journal of Physical Chemistry B 106 (9), 2269-2276, 2002
1482002
Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study
V Milman, A Perlov, K Refson, SJ Clark, J Gavartin, B Winkler
Journal of Physics: Condensed Matter 21 (48), 485404, 2009
1192009
Modeling charge self-trapping in wide-gap dielectrics: Localization problem in local density functionals
JL Gavartin, PV Sushko, AL Shluger
Physical review B 67 (3), 035108, 2003
972003
Predicting Drug Substances Autoxidation
P Lienard, J Gavartin, G Boccardi, M Meunier
Pharmaceutical Research 32 (1), 300-310, 2014
832014
Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics
SFJ Cox, JL Gavartin, JS Lord, SP Cottrell, JM Gil, HV Alberto, JP Duarte, ...
Journal of Physics: Condensed Matter 18 (3), 1079, 2006
822006
Interfacial oxide growth at silicon∕high- oxide interfaces: First principles modeling of the interface
MH Hakala, AS Foster, JL Gavartin, P Havu, MJ Puska, RM Nieminen
Journal of applied physics 100 (4), 043708, 2006
652006
Ab initio modeling of structure and defects at the HfO2/Si interface
JL Gavartin, L Fonseca, G Bersuker, AL Shluger
Microelectronic engineering 80, 412-415, 2005
582005
Lattice relaxation and charge-transfer optical transitions due to self-trapped holes in nonstoichiometric LaMnO3 crystal
NN Kovaleva, JL Gavartin, AL Shluger, AV Boris, AM Stoneham
Journal of Experimental and Theoretical Physics 94 (1), 178-190, 2002
512002
Oxygen vacancies in cubic ZrO 2 nanocrystals studied by an ab initio embedded cluster method
DM Ramo, PV Sushko, JL Gavartin, AL Shluger
Physical Review B 78 (23), 235432, 2008
502008
Calculation of adiabatic barriers for cation diffusion in Li2O and LiCl crystals
JL Gavartin, CRA Catlow, AL Shluger, AN Varaksin, YN Kolmogorov
Modelling and Simulation in Materials Science and Engineering 1 (1), 29, 1992
471992
Nano and Giga Challenges in Microelectronics
AL Shluger, AS Foster, JL Gavartin, PV Sushko
Greer, J, 151, 2003
342003
The oxide gate dielectric: do we know all we should?
AM Stoneham, JL Gavartin, AL Shluger
Journal of Physics: Condensed Matter 17 (21), S2027, 2005
322005
Modeling hfo2/sio2/si interface
JL Gavartin, AL Shluger
Microelectronic engineering 84 (9-10), 2412-2415, 2007
312007
Mechanism of charge trapping reduction in scaled high-κ gate stacks
G Bersuker, BH Lee, HR Huff, J Gavartin, A Shluger
Defects in High-k Gate Dielectric Stacks, 227-236, 2006
242006
Thermal fluctuations, localization, and self-trapping in a polar crystal: Combined shell-model molecular dynamics and quantum chemical approach
JL Gavartin, AL Shluger
Physical Review B 64 (24), 245111, 2001
232001
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Articles 1–20