Home > List of Publications
List of Publications

[Home]
[Interests]
[Research]
[Publications]
[Education]
[Thesis]
[Software]
[Personal]
[Contact]
Find here a complete list of my published (and to be published) articles in reverse order, i.e. beginning with the most recent. If you just want to get an idea of what I do, articles number 18, 14 and 13 ("Phosphine Dissociation ...", "Surface Structures of ..." and "Defect Cluster Aggregation ...") will give you a good overview. Alternatively you may want to peruse my most cited publications.

The "Article" links will provide you with a PDF version of the publication.

61.
Dissociative chemisorption of PH3 on germanium (001)
G. Scappucci, O. Warschkow, G. Capellini, W.M. Klesse, D.R. McKenzie, and M.Y. Simmons
submitted for publication
60.
Guided self-assembly of metal atoms on silicon using organic-molecule templating
D.R. Belcher, M.W. Radny, S.R. Schofield, P.V. Smith, and O. Warschkow
submitted for publication
59.
A single-atom transistor
M. Fuechsle, J.A. Miwa, S. Mahapatra, H. Ryu, S. Lee, O. Warschkow, L.C.L. Hollenberg, G. Klimeck, and M. Y. Simmons
Nature Nanotechnology 7 (2012) 242-246
58.
Acetic Acid on Silicon (001): An Exercise in Chemical Analogy
O. Warschkow, D.R. Belcher, S.R. Schofield, P.V. Smith, and M.W. Radny
Phys. Rev. B 84 (2011) 153302 [Abstract] [Article]
57.
Cu/ZnO(0001) under oxidating and reducing conditions : A first principles survey of surface structures
O. Warschkow, K. Chuasiripattana, M.J. Lyle, B. Delley, and C. Stampfl
Phys. Rev. B 84 (2011) 125311 [Abstract] [Article]
56.
Dimer pinning and the assignment of semiconductor-adsorbate surface structures
P.V. Smith, O. Warschkow, M.W. Radny, S.R. Schofield, and D.R. Belcher
J. Chem. Phys. 134 (2011) 064709. [Abstract] [Article]
55.
Phosphorus delta-doped silicon: mixed-atom pseudopotentials and dopant disorder effects
D.J. Carter, N.A. Marks, O. Warschkow, and D.R. McKenzie
Nanotechnology 22 (2011) 065701 [Abstract [Article]
54.
Pathways for thermal phosphorus desorption from the silicon (001) surface
J.M. Bennett, O. Warschkow, N.A. Marks, and D.R. McKenzie
Phys. Rev. B 82 (2010) 235417 [Abstract] [Article]
53.
Coverage and Charge-State Dependent Adsorption of Carbon Monoxide on the Zinc Oxide (0001) Surface
M.J. Lyle, O. Warschkow, B. Delley, and C. Stampfl
Phys. Rev. B 82 (2010) 165401 [Abstract] [Article]
52.
Reaction Intermediates of Methanol Synthesis and the Water-Gas-Shift Reaction on the ZnO(0001) Surface
K. Chuasiripattana, O. Warschkow, B. Delley, and C. Stampfl
Surf. Sci. 604 (2010) 1742 [Abstract] [Article]
51.
A Density Functional Study of Oxygen on Cu(100) and Cu(110) Surfaces
X. Duan, O. Warschkow, A. Soon, B. Delley, and C. Stampfl
Phys. Rev. B 81 (2010) 075430 [Abstract] [Article]
50.
Comment on "Transformation of C-type defects on Si(100)-2x1 surface at room temperature STM/STS study [Surf. Sci. 602 (2008) 2835]"
O. Warschkow, N.A. Marks, S.R. Schofield, M.W. Radny, P.V. Smith, and D.R. McKenzie
Surf. Sci. 604 (2010) 235. [Abstract] [Article]
49.
Carbonyl Mediated Attachment to Silicon: Acetaldehyde on Si(001)
D.R. Belcher, S.R. Schofield, O. Warschkow, M.W. Radny, and P.V. Smith
J. Chem. Phys. 131 (2009) 104707 [Abstract] [Article]
48.
The Electronic Structure of Amorphous Indium Oxide Transparent Conductors
J. Rosen and O. Warschkow
Phys. Rev. B 80 (2009) 115215 [Abstract] [Article]
47.
The Diffusion Pathways of Phosphorus Atoms in the Silicon (001) Surface
J.M. Bennett, O. Warschkow, N.A. Marks, and D.R. McKenzie
Phys. Rev. B 79 (2009) 165311 [Abstract] [Article]
46.
Electronic Structure Models of Delta-Doped Silicon
D.J. Carter, O. Warschkow, N.A. Marks, and D.R. McKenzie
Phys. Rev. B 79 (2009) 033204 and 80 (2009) 049901(E) [Abstract] [Article] [Erratum]
45.
Acetone on Silicon (001): Ambiphilic Molecule Meets Ambiphilic Surface
O. Warschkow, I. Gao, S.R. Schofield, D.R. Belcher, M.W. Radny, S.A. Saraireh, and P.V. Smith
Phys. Chem. Chem. Phys. 11 (2009) 2747-2759 [Abstract] [Article]
44.
A Comprehensive Survey of M2AX Phase Elastic Properties
M.F. Cover, O. Warschkow, M.M.M. Bilek, and D.R. McKenzie
J. Phys. Cond. Matter 21 (2009) 305403 [Abstract] [Article] [Supplement]
43.
Aminoxyl Radicals on the Silicon (001) Surface
J.M. Bennett, O. Warschkow, and N.A. Marks
J. Phys. Chem. C 113 (2009) 1020-1027. [Abstract] [Article]
42.
Multiscale Simulation Studies on the Electromechanical Properties of Carbon Nanotubes
C.-H. Park, H. Chang, K.-J. Kong, J.Y. Park, S. Im, and O. Warschkow,
J. Korean Phys. Soc. 52 (2008) 1281-1286 [Abstract] [Article]
41.
Elastic Properties of Ti(n+1)AlC(n) and Ti(n+1)AlN(n) MAX Phases
M.F. Cover, O. Warschkow, M.M.M. Bilek, and, D.R. McKenzie
Advanced Engineering Materials 10 (2008) 935. [Abstract] [Article]
40.
Water on Silicon (001): C-defects and Initial Steps of Surface Oxidation
O. Warschkow, S.R. Schofield, N.A. Marks, M.W. Radny, P.V. Smith, and D.R. McKenzie
Phys. Rev. B (Rapid Communication) 77 (2008) 201395. [Abstract] [Article]
39.
Structure and Local Equilibrium Thermodynamics of the c(2x2) Reconstruction of Rutile TiO2(100)
O. Warschkow, Y. Wang, A. Subramanian, M. Asta, L.D. Marks
Phys. Rev. Lett. 100 (2008) 086102. [Abstract] [Article]
38.
Single P and As dopants in the Si(001) surface
M.W. Radny, P.V. Smith, T.C.G. Reusch, O. Warschkow, N.A. Marks, H.Q. Shi, D.R. McKenzie, S.R. Schofield, N.J. Curson, and M.Y. Simmons
J. Chem. Phys. 127 (2007) 184706. [Abstract] [Article]
37.
Single Hydrogen Atoms on the Si(001) Surface
M.W. Radny, P.V. Smith, T.C.G. Reusch, O. Warschkow, N.A. Marks, H.F. Wilson, S.R. Schofield, N.J. Curson, D.R. McKenzie, and M.Y. Simmons
Phys. Rev. B 76 (2007) 155302. [Abstract] [Article]
36.
Atomic-scale structure of the SrTiO3(001)-c(6x2) reconstruction: Experiments and first-principles calculations
C. H. Lanier, A. van de Walle, N. Erdman, E. Landree, O. Warschkow, A. Kazimirov, K. R. Poeppelmeier, J. Zegenhagen, M. Asta, and L. D. Marks
Phys. Rev. B 76 (2007) 045421 [Abstract] [Article]
35.
Single phosphorus atoms in Si(001) : The influence of substrate doping on Si dangling bonds
T.C.G. Reusch, M.W. Radny, P.V. Smith, O. Warschkow, N.A. Marks, N.J. Curson, D.R. McKenzie, and M.Y. Simmons
J. Phys. Chem. C 111 (2007) 6428 [Abstract] [Article]
34.
Amorphous and crystalline phases in thermal quench simulations of alumina
J. Rosen, O. Warschkow, D.R. McKenzie, and M.M.M. Bilek
J. Chem. Phys. 126 (2007) 204709 [Abstract] [Article]
33.
NH3 on Si(001) : Can Gaussian Cluster and Planewave Slab Models Agree on Energetics ?
O. Warschkow, T. L. McDonell, and N. A. Marks
Surface Science 601 (2007) 3020-3033. [Abstract] [Article]
32.
Doping and STM tip-induced changes to dangling bonds on Si(001)
T.C.G. Reusch, O. Warschkow, M.W. Radny, P.V. Smith, N.A. Marks, N.J. Curson, D.R. McKenzie, and M.Y. Simmons
Surface Science 601 (2007) 4036 [Abstract] [Article]
31.
Surface Evolution of Rutile TiO2 (100) in an Oxidizing Environment
Y. Wang, O. Warschkow, and L.D. Marks
Surface Science 601 (2007) 63-67. [Abstract] [Article]
30.
Thermal dissociation and desorption of PH3 on Si(001): A reinterpretation of spectroscopic data
H.F. Wilson, O. Warschkow, N.A. Marks, N.J. Curson, S.R. Schofield, T.C.G. Reusch, M.R. Radny, P.V. Smith, D.R. McKenzie, and M.Y. Simmons
Phys. Rev. B 74 (2006) 195310 [Abstract] [Article]
29.
The Importance of Charging in Atomic Resolution Scanning Tunneling Microscopy
M.W. Radny, P.V. Smith, T.C.G Reusch, O. Warschkow, N.A. Marks, H.F. Wilson, N.J. Curson, S.R. Schofield, D.R. McKenzie, and M.Y. Simmons
Phys. Rev. B 74 (2006) 113311 [Abstract] [Article]
28.
Raman Spectra of Partially Oriented sp2 Carbon Films: Experimental and Modelled
R.N. Tarrant, O. Warschkow and D.R. McKenzie
Vibrational Spectroscopy 41 (2006) 232-239 [Abstract] [Article]
27.
(Conference Proceeding) Atomic-scale Observation and Control of the Reaction of Phosphine with Silicon
S.R. Schofield, N.J. Curson, M.Y. Simmons, O. Warschkow, N.A. Marks, H.F. Wilson, and D.R. McKenzie, P.V. Smith, and M.W. Radny,
Elec. J. Surf. Sci. Nanotech. (eJSSNT), 4 (2006) 609-613 [Abstract] [Article]
26.
A Theoretical and Experimental Study of Lead Substitution in Calcium Hydroxyapatite.
D.E. Ellis, J. Terra, O. Warschkow, M. Jiang, G.B. Gonzalez, J.S. Okasinski, M.J. Bedzyk, A.M. Rossi and J.G. Eon
Phys. Chem. Chem. Phys. 8 (2006) 967-976 [Abstract] [Article]
25.
The Effect of Argon on the Structure of Amorphous SiBCN Materials - An Ab Initio Study
J. Houska, O. Warschkow, M.M.M. Bilek, D.R. McKenzie, J. Vlcek, and S. Potocky
J. Phys.: Condens. Matter 18 (2006) 2337 [Abstract] [Article]
24.
Phosphine Dissociation and Diffusion on Si(001) Observed at the Atomic Scale
S.R. Schofield, N.J. Curson, O. Warschkow, N.A. Marks, H.F. Wilson, M.Y. Simmons, P.V. Smith, M. Radny, D.R. McKenzie, and R.G. Clark
J. Phys. Chem. B 110 (2006) 3173. [Abstract] [Article]
23.
Interstitial Oxygen in Tin-Doped Indium Oxide Transparent Conductors
O. Warschkow, G.B. Gonzalez, Lj. Miljacic, T.O. Mason, and D.E. Ellis
J. Am. Ceram. Soc. 89 (2006) 216-219 [Abstract] [Article]
22.
Molecular Dissociation of Group V Hydrides on the Si(001) Surface
T.L. McDonell. O. Warschkow, N.A. Marks, H.F. Wilson, P.V. Smith and M.W. Radny
Phys. Rev. B 72 (2005) 193307 [Abstract] [Article]
21.
(Conference Proceeding) Towards the Routine Fabrication of P in Si Nanostructures: Understanding P Precursor Molecules on Si(001)
S.R. Schofield, N.J. Curson, O. Warschkow, N.A. Marks, H.F. Wilson, M.Y. Simmons, P.V. Smith, M.W. Radny, and D.R. McKenzie
Mat. Res. Soc. Symp. Proc. 864 (2005) E5.4 [Abstract] [Article]
20.
Phosphine Adsorption and Dissociation on the Si(001) Surface: An Ab Initio Survey of Structures
O. Warschkow, H.F. Wilson, N.A. Marks, S.R. Schofield, N.J. Curson, P.V. Smith, M.W. Radny, D.R. McKenzie and M.Y. Simmons
Phys. Rev. B 72 (2005) 125328 [Abstract] [Article]
19.
Ab Initio Simulations of Nitrogen Evolution in Quenched CNx and SiBCN Amorphous Materials
J. Houska, M.M.M. Bilek, O. Warschkow, D.R. McKenzie, and J. Vlcek
Phys. Rev. B 72 (2005) 054204 [Abstract] [Article]
18.
Phosphine Dissociation on the Si(001) Surface
H. F. Wilson, O. Warschkow, N. A. Marks, S. R. Schofield, N. J. Curson, P. V. Smith, M. W. Radny, D. R. McKenzie, and M. Y. Simmons
Phys. Rev. Lett. 93 (2004) 226102 [Abstract] [Article]
17.
TiO2-rich Reconstructions of SrTiO3 (001): A Theoretical Study of Structural Patterns
O. Warschkow, M. Asta, N. Erdman, K. R. Poeppelmeier, D. E. Ellis, and L. D. Marks
Surf. Sci. 573 (2004) 446 [Abstract] [Article]
16.
Defect Structure Studies of Bulk- and Nano-Indium-Tin-Oxide
G. B. Gonzalez, T. O. Mason, J. P. Quintana, O. Warschkow, D. E. Ellis, J.-H. Hwang, J. P. Hodges and J. D. Jorgensen
J. Appl. Phys. 96 (2004) 3912 [Abstract] [Article]
15.
Direct Observation of Charge Transfer at a MgO(111) Surface
A. Subramanian, L. D. Marks, O. Warschkow, and D. E. Ellis
Phys. Rev. Lett. 92 (2004) 026101 [Abstract] [Article]
14.
Surface Structures of SrTiO3 (001) : A TiO2-rich Reconstruction with a c(4x2) Unit Cell
N. Erdman, O. Warschkow, K. R. Poeppelmeier, M. Asta, D. E. Ellis, and L. D. Marks
J. Amer. Chem. Soc. 125 (2003) 10050-10056 [Abstract] [Article]
13.
Defect Cluster Aggregation and Non-Reducibility in Tin-doped Indium Oxide
O. Warschkow, D. E. Ellis, G. B. Gonzalez and T. O. Mason
J. Amer. Ceram. Soc. 86 (2003) 1707-1711 [Abstract] [Article]
12.
Defect Structures of Tin-doped Indium Oxide
O. Warschkow, D. E. Ellis, G. B. Gonzalez and T. O. Mason
J. Amer. Ceram. Soc. 86 (2003) 1700-1706 [Abstract] [Article]
11.
Evolution of Hybrid Classical/Quantum Methodologies: Application to Oxide Surfaces and Interfaces
D. E. Ellis and O. Warschkow
Coord. Chem. Reviews 238-239 (2003) 31-53 [Abstract] [Article]
10.
Toward structure-function relations - A hybrid quantum/classical approach
D. E. Ellis and O. Warschkow
Adv. Quant. Chem. 42 (2003) 35-66 [Abstract] [Article]
9.
The Structure and Chemistry of the TiO2-rich Surface of SrTiO3 (001)
N. Erdman, K. R. Poeppelmeier, M. Asta, O. Warschkow, D. E. Ellis and L. D. Marks
Nature 491 (2002) 55-58 [Abstract] [Article]
8.
Defects and charge transport near the Hematite (0001) surface: An atomistic study of oxygen vacancies
O. Warschkow, D. E. Ellis, J. H. Hwang, N. Mansourian-Hadavi and T. O. Mason
J. Amer. Ceram. Soc. 85 (2002) 213-220 [Abstract] [Article]
7.
Oxide-oxide interfaces: Atomistic and density functional study of cubic ZrO2(100) || NiO(111)
C. X. Guo, O. Warschkow, D. E. Ellis, V. P. Dravid, and E. C. Dickey
J. Amer. Ceram. Soc., 84 (2001) 2677-2684 [Abstract] [Article]
6.
Solution of p(2x2) NiO(111) surface structure using direct methods applied to X-ray diffraction data
N. Erdman, O. Warschkow, D. E. Ellis and L. D. Marks
Surface Science 470 (2000) 1-14 [Abstract] [Article]
5.
Defect and electronic structure of calcium-doped lanthanum cuprate
J. Okasinski, J. B. Cohen, J. H. Hwang, T. O. Mason, Z. Ding, O. Warschkow and D. E. Ellis
J. Amer. Ceram. Soc. 82 (1999) 2451 [Abstract] [Article]
4.
A divide-and-conquer implementation of the discrete variational DFT method for large molecular and solid systems
O. Warschkow, J.M. Dyke and D.E. Ellis
J. Comp. Phys. 143 (1998) 70-89 [Abstract] [Article]
3.
An ab initio study of the 1-singlet-A2 state of BCl2(+): the emission spectrum
E. P. F. Lee, O. Warschkow, T. G. Wright
Chem. Phys. Lett. 277 (1997) 264-268 [Abstract] [Article]
2.
Boron dichloride and its cation - Geometries, vibrational frequencies, ionization energy and excitation energies
O. Warschkow, E. P. F. Lee, T. G. Wright
J. Chem. Soc., Faraday Trans. 93 (1997) 53-61 [Abstract] [Article]
1.
UV-photoelectron-spectra of the mu-hydrido bridge-bonded molecules B2H6, GaBH6 and Ga2H6
J. M. Dyke, D. Haggerston, O. Warschkow, L. Andrews, A. J. Downs, and P. F. Souter
J. Phys. Chem. 100 (1996) 2998-3004 [Abstract] [Article]
Last modified: May 01, 2012