Department of Physics & Astronomy
Sokrates T. Pantelides
William and Nancy McMinn Professor of Physics
Department of Physics & Astronomy
Sokrates T. Pantelides
William and Nancy McMinn Professor of Physics
Recent Publications:
2005
L. Tsetseris, X. J. Zhou, D. M. Fleetwood, R. D. Schrimpf, and S.T. Pantelides, "Physical mechanisms of negative-bias temperature instability", submitted.
L. Tsetseris and S. T. Pantelides, "Hydrogenation/deuteration of the Si-SiO2 interface: atomic-scale mechanisms and limitations", Appl. Phys. Lett. 86, (2005), to appear.
S. Dhar, S. Wang, J. R.. Williams, S. T. Pantelides, and L. C. Feldman, "Interface
Passivation for Silicon Dioxide Layers on Silicon Carbide", MRS, Vol. 30,
(2005).
2004
L. Tsetseris and S. T. Pantelides, "Migration, incorporation, and passivation reactions of molecular hydrogen at the Si-SiO2 interface", Phys. Rev. B 70, 245320 (2004).
L. Tsetseris, X. J. Zhou, D. M. Fleetwood, R. D. Schrimpf, and S. T. Pantelides, "Dual Role of Fluorine at the Si-SiO2 interface", Appl. Phys. Lett. 85, 4950 (2004).
X. J. Zhou, L. Tsetseris, S. N. Rashkeev, D. M. Fleetwood, R. D. Schrimpf, S. T. Pantelides, J. A. Felix, E. P. Gusev, and C. D. Emic, "Negative bias-temperature instabilities in metal-oxide-silicon devices with SiO2 and SiOxNy/HfO2 gate dielectrics", Appl. Phys. Lett. 84, 4394 (2004).
L. Tsetseris, X. J. Zhou, D. M. Fleetwood, R. D. Schrimpf, and S. T. Pantelides,
"Hole-enhanced reactions of water at the Si-SiO2 interface", Mat.
Res. Soc. Proc. 786, 171 (2004).
S.W. Wang, A.Y. Borisevich, S.N. Rashkeev, M.V. Glazoff, K. Sohlberg, S.J. Pennycook, S.T. Pantelides, "Dopants adsorbed as single atoms prevent degradation of catalysts" Nature Mater 3,143-146 (2004)
X. Zhou, L. Tsetseris, S. N. Rashkeev, D. M. Fleetwood, R. D. Schrimpf, and S. T. Pantelides, "Negative Bias-Temperature Instabilities in Metal-Oxide-Silicon Devices with SiO2 and SiOxNy/HfO2 Gate Dielectrics", Appl. Phys. Lett. in press
T. Bakos, S. N. Rashkeev, and S. T. Pantelides, "H2O and O2 molecules in amorphous SiO2 - Defect formation and annihilation mechanisms", Phys. Rev. B, in press.
T. Bakos, S. N. Rashkeev, and S. T. Pantelides, "Optically active defects in SiO2: The nonbridging oxygen center and the interstitial OH molecule", Phys. Rev. B, in press.
K. Varga, Z. Zhang, and S. T. Pantelides, "'Lagrange functions' - a family of powerful basis sets for order-N real-space electronic structure calculations" submitted to Phys. Rev. Lett.
2003
Z. Y. Lu, C. J. Nicklaw, D. M. Fleetwood, R. D. Schrimpf, S. T. Pantelides, "Structure, properties, and dynamics of oxygen vacancies in amorphous SiO2", Phys. Rev. Lett. 91, 039901 (2003).
X. Fan, R. Buczko, A. A. Puretzky, D. B. Geohegan, J. Y. Howe, S. T. Pantelides, and S. J. Pennycook, "Nucleation of Single-Walled Carbon Nanotubes", Phys. Rev. Lett. 90, 145501 (2003).
T. Bakos, S.N. Rashkeev, S.T. Pantelides, "Role of electronic versus atomic relaxations in Stokes shifts at defects in solids" Phys Rev Lett 91 (22): Art. No. 226402 (2003)
S.N. Rashkeev, D.M. Fleetwood, R.D. Schrimpf, S.T. Pantelides, "Radiation-induced acceptor deactivation in bipolar devices: Effects of electric field" Appl Phys Lett 83 (22): 4646-4648 (2003)
A. Franceschetti and S. T. Pantelides, "Excited-state relaxations and
Franck-Condon shift in Si quantum dots", Phys. Rev. B 68, 033313 (2003).
Z. Marka, R. Pasternak, S. N. Rashkeev, Y. Jiang, S. T. Pantelides, N. H. Tolk,
P. K. Roy, and J. Kozub, "Band Offsets Measured by Internal Photoemission-Induced
Second-Harmonic Generation", Phys. Rev. B 67,
045302 (2003).
S. N. Rashkeev, K. Sohlberg, M. V. Glazoff, J. Novak, S. J. Pennycook, and S. T. Pantelides, "Transition Metal Atoms on Different Alumina Phases: The Role of Subsurface Sites on Catalytic Activity", Phys. Rev. B 67, 115414 (2003).
Z.Marka, R.Pasternak, R.G.Albridge, S.N.Rashkeev, S.T.Pantelides, N.H.Tolk, B.K.Choi, D.M.Fleetwood, and R.D. Schrimpf, "Two Color Optical Technique for Characterization of Radiation Induced Leakage Current in SiO2", J. Appl. Phys., 93, 1865 (2003).
K. McDonald, R. A. Weller, S. T. Pantelides, L. C. Feldman, G. Y. Chung, C. C. Tin, and J. R. Williams, "Characterization and Modeling of the Nitrogen Passivation of Interface Traps in SiO2/4H-SiC", J. Appl. Phys. 93, 2719 (2003).
2002
Zhong-Yi Lu, C. J. Nicklaw, D. M. Fleetwood, R. D. Schrimpf, and S. T. Pantelides,
Structure, Properties, and Dynamics of Oxygen Vacancies in Amorphous SiO2
, Phys. Rev. Lett. 89, 285505 (2002). abstract
S.-H. Cai, S. N. Rashkeev, S. T. Pantelides and K. Sohlberg, "Atomic Scale
Mechanism of the Transformation of gamma-Alumina to theta-Alumina", Phy.
Rev. Lett, 89, 235501 (2002). abstract
J. Wu, E. G. Wang, K. Varga, B. G. Liu, S. T. Pantelides, Z.
Y. Zhang, "Island Shape Selection in Pt(111) Submonolayer Homoepitaxy with
or without CO as an Adsorbate", Phys. Rev. Lett.
89, 146103 (2002). abstract
L. G. Wang, S. J. Pennycook,
and S. T. Pantelides, "The Role of the Nanoscale in Surface Reactions:
CO2 on CdSe", Phys. Rev.
Lett. 89, 075506 (2002).
abstract
M. Di Ventra, S. T. Pantelides, and N. D. Lang, "Current-Induced Forces
in Molecular Wires", Phys. Rev. Lett. 88, 046801(2002).
abstract
T. Bakos, S. N. Rashkeev, and S. T. Pantelides, "Reactions of Water in
Amorphous SiO2", Phys. Rev.
Lett.88, 055508 (2002). abstract
Y. -S. Su and S. T. Pantelides, "Diffusion Mechanism of
Hydrogen in Amorphous Silicon - Ab initio Molecular Dynamics Simulation",
Phys. Rev. Lett., 88, 165503 (2002). abstract
S. N. Rashkeev, M. Di Ventra, and S. T. Pantelides, "Transport in Molecular
Transistors: Symmetry Effects and Nonlinearities", Phys.
Rev. B, 66, 033301 (2002) abstract
; Virt. Jour. Nano. And Tech. 6, N5 (2002).
Y. D. Glinka, W. Wang, S. K. Singh, Z. Marka, S. N. Rashkeev,
Y. Shirokaya, R. Albridge, S. T. Pantelides, N. H. Tolk, G. Lucovsky, "Characterization
of Charge-carrier Dynamics in Thin Oxide Layers on Silicon by Second Harmonic
Generation", Phys. Rev. B., 65, 3103 (2002).
abstract
2001
S. N. Rashkeev, D. M. Fleetwood, R. D. Schrimpf, and S. T. Pantelides, "Defect
Generation by Hydrogen at the Si-SiO2 Interface",
Phys. Rev. Lett. 87, 5506 (2001). abstract
S. Wang, M. Di Ventra, S. G. Kim, and S. T. Pantelides, "Atomic-scale Dynamics
of the Formation and Dissolution of Carbon Clusters in SiO2",
Phys Rev. Lett., 86, 5946, (2001).
abstract
Y. Yan, S. B. Zhang, and S. T. Pantelides, "Control of
Doping by Impurity Chemical Potentials: Predictions for p-Type ZnO",
Phys. Rev. Lett. 86, 5723 (2001). abstract
M. Kim, G. Duscher, N. D. Browning, K. Sohlberg, S. T. Pantelides, and S.
J. Pennycook, "Non-Stoichiometry and the Electrical Activity of Grain
Boundaries in SRTIO3," Phys.
Rev. Lett., 86, 4056 (2001). abstract
M. Di Ventra, S.-G. Kim, S. T. Pantelides and N. D. Lang, "Temperature
Effects on the Transport Properties of Molecules", Phys.
Rev. Lett. 86, 288 (2001). abstract
S. T. Pantelides, M. Di Ventra and N. D. Lang, "Molecular
Electronics by the Numbers", Physica
B 296, 72 (2001).abstract
S. N. Rashkeev, M. Di Ventra, and S. T. Pantelides, "Hydrogen Passivation
and Activation of Oxygen Complexes in Silicon", Appl.
Phys. Lett. 78, 1571 (2001).
abstract
2000
R. Buczko, G. Duscher, S. J. Pennycook, and S. T. Pantelides,
"Excitonic Effects in Core-Excitation Spectra of Semiconductors",
Phys. Rev. Lett. 85, 2168 (2000). abstract
X. Fan, E. C. Dickey, P. C. Ecklund, K. A. Williams, L. Grigorian, R. Buczko,
S. T. Pantelides and S. J. Pennycook, "Atomic Arrangement of Iodine Atoms
Inside Single-Walled Carbon Nanotubes", Phys.
Rev. Lett. 84, 4621 (2000). abstract
M. Di Ventra, S. T. Pantelides, and N. D. Lang, "First-Principles Calculation
of Transport Properties of a Molecular Device", Phys.
Rev. Lett. 84, 979 (2000). abstract
R. Buczko, S. J. Pennycook, S. T. Pantelides, "Bonding Arrangments at
the Si-SiO2 and SiC-SiO2 Interfaces
and the Origin of Their Contrasting Properties", Phys.
Rev. Lett. 84, 943 (2000). abstract
G. Chung, C. C. Tin, J.R. Williams, K. McDonald, M. Di Ventra,
R. A. Weller, R. K. Chanana, S. T. Pantelides and L. C. Feldman, "Effects
of Anneals in Ammonia on the Interface Trap Density Near the Band Edges in
4H-Silicon Carbide Metal-Oxide-Semiconductor Capacitors", Appl.
Phys. Lett., 77, 3601 (2000). abstract
R. K. Chanana, K. McDonald, M. Di Ventra, G. Y. Chung, C. C. Tin, S. T. Pantelides,
J. R. Williams, R. A. Weller and L. C. Feldman, "Fowler-Nordheim Hole-tunneling
in p-SiC/SiO2 Structures", Appl.
Phys. Lett. 77, 2560 (2000). abstract
M. Di Ventra and S. T. Pantelides, "The Benzene Molecule as a Molecular
Resonant-Tunneling Transistor", Appl. Phys.
Lett. 76, 3448 (2000). abstract
G. Y. Chung, C. C. Tin, J. R. Williams, J.K. McDonald, M. Di Ventra, S. T.
Pantelides, L. C. Feldman and R. A. Weller, "Effect of Nitric Oxide Annealing
on the Interface Trap Densities Near the Band Edges in the 4H Polytype of
Silicon Carbide", Appl. Phys. Lett. 76, 1713
(2000). abstract
Created by
Debbie Frizzell
Vanderbilt University
Updated 7/28/03