Dr Oliver Warschkow

A28 - Physics Building
The University of Sydney

Telephone +61 2 9351 3311
Fax +61 2 9351 7726

Website Research Webpage

Biographical details

Oliver Warschkow is a Senior Research Fellow in the School of Physics holding a position that is affiliated with the Australian Research Council Centre of Excellence for Quantum Computation and Communication Technology (CQC2T). He took up this position in 2004, following postdoctoral training at Northwestern University in the United States and the completion of his PhD in Physical Chemistry at Southampton University in 1999. Oliver is a prolific author/coauthor with over 60 peer-reviewed publications. This includes articles in high-impact journals such as Nature, Nature Nanotechnology, Physical Review Letters, and the Journal of the American Chemical Society.

Research interests

Oliver's main research interests are in computational materials and surface science with a particular focus on applications in molecular nanotechnology and chemical catalysis. Working typically in close collaboration with experimental researchers, Oliver uses advanced computer models of atoms and molecules to study chemical processes that occur on semiconductor surfaces.

Selected grants

2012

  • Exploring the silicon organic interface at the atomic scale using NEXAFS, STM and DFT; Warschkow O; Australian Synchrotron Company Limited/International Access Program.

2007

  • First Pinciples Catalyst Design towards an Environmentally Clean and Energy Efficient Future; Stampfl C, Delley B, Warschkow O; Australian Research Council (ARC)/Discovery Projects (DP).

Selected publications

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Journals

  • Miwa, J., Warschkow, O., Carter, D., Marks, N., Mazzola, F., Simmons, M., Wells, J. (2014). Valley splitting in a silicon quantum device platform. Nano Letters: a journal dedicated to nanoscience and nanotechnology, 14(3), 1515-1519-1515-1519. [More Information]
  • Carter, D., Warschkow, O., Gale, J., Scappucci, G., Klesse, W., Capellini, G., Rohl, A., Simmons, M., McKenzie, D., Marks, N. (2013). Electronic structure of phosphorus and arsenic δ-doped germanium. Physical Review B (Condensed Matter and Materials Physics), 88(11), 1-10. [More Information]
  • Carter, D., Warschkow, O., Marks, N., McKenzie, D. (2013). Electronic structure of two interacting phosphorus d-doped layers in silicon. Physical Review B (Condensed Matter and Materials Physics), 87(4), 1-8. [More Information]
  • TRACEY, D., Delley, B., McKenzie, D., Warschkow, O. (2013). Molecular adsorption on silicon (001): A systematic evaluation of size effects in slab and cluster models. AIP Advances, 3(4), 1-20. [More Information]
  • Schofield, S., Warschkow, O., Belcher, D., Rahnejat, K., Radny, M., Smith, P. (2013). Phenyl attachment to Si(001) via STM manipulation of acetophenone. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 117(11), 5736-5741. [More Information]
  • Fuechsle, M., Miwa, J., Mahapatra, S., Ryu, H., Lee, S., Warschkow, O., Hollenberg, C., Klimeck, G., Simmons, M. (2012). A single-atom transistor. Nature Nanotechnology, 7(4), 242-246. [More Information]
  • Belcher, D., Radny, M., Schofield, S., Smith, P., Warschkow, O. (2012). Guided self-assembly of metal atoms on silicon using organic-molecule templating. Journal of the American Chemical Society, 134(37), 15312-15317. [More Information]
  • Scappucci, G., Warschkow, O., Capellini, G., Klesse, W., McKenzie, D., Simmons, M. (2012). N-type doping of germanium from phosphine: Early stages resolved at the atomic level. Physical Review Letters, 109(7), 1-4. [More Information]
  • Fuechsle, M., Miwa, J., Mahapatra, S., Warschkow, O., Hollenberg, L., Simmons, M. (2012). Realisation of a single-atom transistor in silicon. Royal Society of New South Wales. Journal and Proceedings, 145(443 & 444), 66-74.
  • Fuechsle, M., Miwa, J., Mahapatra, S., Ryu, H., Lee, S., Warschkow, O., Hollenberg, C., Klimeck, G., Simmons, M. (2012). Spectroscopy of a deterministic single-donor device in silicon. Proceedings of SPIE - International Society for Optical Engineering, 8400 (06), 840006-1-840006-7. [More Information]
  • Warschkow, O., Belcher, D., Radny, M., Schofield, S., Smith, P. (2011). Acetic acid on silicon (001): An exercise in chemical analogy. Physical Review B (Condensed Matter and Materials Physics), 84(15), 153302-1-153302-6. [More Information]
  • Warschkow, O., Chuasiripattana, K., Lyle, M., Delley, B., Stampfl, C. (2011). Cu/ZnO(0001) under oxidating and reducing conditions: A first-principles survey of surface structures. Physical Review B (Condensed Matter and Materials Physics), 84, 125311-1-125311-25.
  • Smith, P., Warschkow, O., Radny, M., Schofield, S., Belcher, D. (2011). Dimer pinning and the assignment of semiconductor-adsorbate surface structures. Journal of Chemical Physics, 134(6), 064709-1-064709-9. [More Information]
  • Carter, D., Marks, N., Warschkow, O., McKenzie, D. (2011). Phosphorus δ-doped silicon: mixed-atom pseudopotentials and dopant disorder effects. Nanotechnology, 22(6), 1-10. [More Information]
  • Warschkow, O., Marks, N., Schofield, S., Radny, M., Smith, P., McKenzie, D. (2010). Comment on "Transformation of C-type defects on Si(100)-2 x 1 surface at room temperature STM/STS study [Surf. Sci. 602 (2008) 2835]". Surface Science, 604(2), 235-236.
  • Lyle, M., Warschkow, O., Delley, B., Stampfl, C. (2010). Coverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surface. Physical Review B (Condensed Matter and Materials Physics), 82(16), 165401-1-165401-9.
  • Duan, X., Warschkow, O., Soon, A., Delley, B., Stampfl, C. (2010). Density functional study of oxygen on Cu(100) and Cu(110) surfaces. Physical Review B (Condensed Matter and Materials Physics), 81(7), 075430-1-075430-15.
  • Bennett, J., Warschkow, O., Marks, N., McKenzie, D. (2010). Pathways for thermal phosphorus desorption from the silicon (001) surface. Physical Review B (Condensed Matter and Materials Physics), 82(23), 235417-1-235417-8. [More Information]
  • Chuasiripattana, K., Warschkow, O., Delley, B., Stampfl, C. (2010). Reaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surface. Surface Science, 604(19-20), 1742-1751.
  • Cover, M., Warschkow, O., Bilek, M., McKenzie, D. (2009). A comprehensive survey of M2AX phase elastic properties. Journal of Physics: Condensed Matter, 21(30, Article number 305403), 305403-1-305403-9.
  • Warschkow, O., Gao, I., Schofield, S., Belcher, D., Radny, M., Saraireh, S., Smith, P. (2009). Acetone on silicon (001): ambiphilic molecule meets ambiphilic surface. Physical Chemistry Chemical Physics, 11(15), 2747-2759.
  • Bennett (nee Bell), J., Warschkow, O., Marks, N. (2009). Aminoxyl Radicals on the Silicon (001) Surface. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 113(3), 1020-1027.
  • Belcher, D., Schofield, S., Warschkow, O., Radny, M., Smith, P. (2009). Carbonyl mediated attachment to silicon: Acetaldehyde on Si(001). Journal of Chemical Physics, 131(10), 104707-1-104707-8.
  • Bennett (nee Bell), J., Warschkow, O., Marks, N., McKenzie, D. (2009). Diffusion pathways of phosphorus atoms on silicon (001). Physical Review B (Condensed Matter and Materials Physics), 79(16), 165311-1-165311-9.
  • Carter, D., Warschkow, O., Marks, N., McKenzie, D. (2009). Electronic structure models of phosphorus delta-doped silicon. Physical Review B (Condensed Matter and Materials Physics), 79(3), 033204-1-033204-4. [More Information]
  • Rosen, J., Warschkow, O. (2009). Electronic structure of amorphous indium oxide transparent conductors. Physical Review B (Condensed Matter and Materials Physics), 80(11), 115215-1-115215-10.
  • Cover, M., Warschkow, O., Bilek, M., McKenzie, D. (2008). Elastic properties of Tin+1AlCn and Tin+1AlNn MAX phases. Advanced Engineering Materials, 10(10), 935-938. [More Information]
  • Park, C., Chang, H., Kong, K., Park, J., Im, S., Warschkow, O. (2008). Multiscale simulation studies on the electromechanical properties of carbon nanotubes. Journal of the Korean Physical Society, 52(4), 1281-1286.
  • Warschkow, O., Wang, Y., Subramanian, A., Asta, M., Marks, L. (2008). Structure and local-equilibrium thermodynamics of the c(2x2) reconstruction of rutile TiO2 (100). Physical Review Letters, 100(8), 086102-1-086102-4.
  • Warschkow, O., Schofield, S., Marks, N., Radny, M., Smith, P., McKenzie, D. (2008). Water on silicon (001): C defects and initial steps of surface oxidation. Physical Review B (Condensed Matter and Materials Physics), 77(20), 201305-1-201305-4.
  • Rosen, J., Warschkow, O., McKenzie, D., Bilek, M. (2007). Amorphous and crystalline phases in thermal quench simulations of alumina. Journal of Chemical Physics, 126(20), 204709-1-204709-9.
  • Lanier, C., van de Walle, A., Erdman, N., Landree, E., Warschkow, O., Kazimirov, A., Poeppelmeier, K., Zegenhagen, J., Asta, M., Marks, L. (2007). Atomic-scale structure of the SrTiO3(001)-c(6x2) reconstruction: Experiments and first-principles calculations. Physical Review B (Condensed Matter and Materials Physics), 76(045421), 045421-1-045421-9.
  • Reusch, T., Warschkow, O., Radny, M., Smith, P., Marks, N., Curson, N., McKenzie, D., Simmons, M. (2007). Doping and STM tip-induced changes to single dangling bonds on Si(001). Surface Science, 601(18), 4036-4040.
  • Warschkow, O., McDonell, T., Marks, N. (2007). NH3 on Si (001): Can Gaussian Cluster and Planewave Slab Models Agree on Energetics? Surface Science, 601, 3020-3033.
  • Radny, M., Smith, P., Reusch, T., Warschkow, O., Marks, N., Wilson, H., Schofield, S., Curson, N., McKenzie, D., Simmons, M. (2007). Single Hydrogen Atoms on the Si(001) Surface. Physical Review B (Condensed Matter and Materials Physics), 76(15), 155302-1-155302-13.
  • Radny, M., Smith, P., Reusch, T., Warschkow, O., Marks, N., Shi, H., McKenzie, D., Schofield, S., Curson, N., Simmons, M. (2007). Single P and As dopants in the Si(001) surface. Journal of Chemical Physics, 127(18), 184706-1-184706-9.
  • Reusch, T., Radny, M., Smith, P., Warschkow, O., Marks, N., Curson, N., McKenzie, D., Simmons, M. (2007). Single Phosphorus Atoms in Si(001): Doping-Induced Charge Transfer into Isolated Si Dangling Bonds. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 111(17), 6428-6433.
  • Wang, Y., Warschkow, O., Marks, L. (2007). Surface evolution of rutile TiO2 (100) in an oxidizing environment. Surface Science, 601(1), 63-67.
  • Ellis, D., Terra, J., Warschkow, O., Jiang, M., Gonzalez, G., Okajinski, J., Bedzyke, M., Rossi, A., Eon, J. (2006). A theoretical and experimental study of lead substitution in calcium hydroxyapatite. Physical Chemistry Chemical Physics, 8(8), 967-976.
  • Schofield, S., Curson, N., Simmons, M., Warschkow, O., Marks, N., Wilson, H., McKenzie, D., Smith, P., Radny, M. (2006). Atomic-scale Observation and Control of the Reaction of Phosphine with Silicon. e-Journal of Surface Science and Nanotechnology, 4, 609-613.
  • Radny, M., Smith, P., Reusch, T., Warschkow, O., Marks, N., Wilson, H., Curson, N., Schofield, S., McKenzie, D., Simmons, M. (2006). Importance of charging in atomic resolution scanning tunneling microscopy: study of single phosphorous atom in a Si(001) surface. Physical Review B (Condensed Matter and Materials Physics), 74, 113311-1-113311-4.
  • Warschkow, O., Miljacic, L., Ellis, D., Gonzalez, G., Mason, T. (2006). Interstitial oxygen in tin-doped indium oxide transparent conductors. Journal of the American Ceramic Society, 89(2), 616-619.
  • Schofield, S., Curson, N., Warschkow, O., Marks, N., Wilson, H., Simmons, M., Smith, P., McKenzie, D., Radny, M., Clark, R. (2006). Phosphine dissociation and diffusion on Si(001) observed at the atomic scale. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 110(7), 3173-3179.
  • Tarrant, R., Warschkow, O., McKenzie, D. (2006). Raman spectra of partially oriented sp(2) carbon films: Experimental and modelled. Vibrational Spectroscopy, 41(2), 232-239.
  • Houska, J., Warschkow, O., Bilek, M., McKenzie, D., Vicek, J., Potocky, S. (2006). The effect of argon on the structure of amorphousSiBCN materials: an experimental and ab initio study. Journal of Physics: Condensed Matter, 18(7), 2337-2348.
  • Wilson, H., Warschkow, O., Marks, N., Curson, N., Schofield, S., Reusch, T., Radny, M., Smith, P., McKenzie, D., Simmons, M. (2006). Thermal dissociation & desorption of PH3 on Si(001): A reinterpretation of spectroscopic data. Physical Review B (Condensed Matter and Materials Physics), 74, 195310-1-195310-10.
  • Houska, J., Bilek, M., Warschkow, O., McKenzie, D., Vicek, J. (2005). Ab initio simulations of nitrogen evolution in quenched CNx and SiBCN amorphous materials. Physical Review B (Condensed Matter and Materials Physics), 72(5), 054204-1-054204-6.
  • McDonell, T., Marks, N., Warschkow, O., Wilson, H., Smith, P., Radny, M. (2005). Molecular dissociation of group-V hydrides on Si(001). Physical Review B (Condensed Matter and Materials Physics), 72(19), 193307-1-193307-4.
  • Warschkow, O., Wilson, H., Marks, N., Schofield, S., Curson, N., Smith, P., Radny, M., McKenzie, D., Simmons, M. (2005). Phosphine adsorption and dissociation on the Si(001) surface: An ab initio survey of structures. Physical Review B (Condensed Matter and Materials Physics), 72(12), 125328-1-125328-15.
  • Gonzalez, G., Mason, T., Quintana, J., Warschkow, O., Ellis, D., Hwang, J., Hodges, J., Jorgensen, J. (2004). Defect structure studies of bulk and nano-indium-tin oxide. Journal of Applied Physics, 96(7), 3912-3920.
  • Subramanian, A., Marks, L., Warschkow, O., Ellis, D. (2004). Direct Observation of Charge Transfer at a MgO(111) Surface. Physical Review Letters, 92(2), 026101-1-026101-4.
  • Wilson, H., Warschkow, O., Marks, N., Schofield, S., Curson, N., Smith, P., Radny, M., McKenzie, D., Simmons, M. (2004). Phosphine Dissociation On The Si(001) Surface. Physical Review Letters, 93(22), 226102-1-226102-4.
  • Warschkow, O., Asta, M., Erdman, N., Poeppelmeier, K., Ellis, D., Marks, L. (2004). Tio2-Rich Reconstructions Of Srtio3(001): A Theoretical Study Of Structural Patterns. Surface Science, 573(3), 446-456.
  • Warschkow, O., Ellis, D., Gonzalez, G., Mason, T. (2003). Defect Cluster Aggregation and Nonreducibility in Tin-Doped Indium Oxide. Journal of the American Ceramic Society, 86(10), 1707-1711.
  • Warschkow, O., Ellis, D., Gonzalez, G., Mason, T. (2003). Defect Structures of Tin-Doped Indium Oxide. Journal of the American Ceramic Society, 86(10), 1700-1706.
  • Ellis, D., Warschkow, O. (2003). Evolution of Classical / Quantum Methodologies: Applications to Oxide Surfaces and Interfaces. Coordination Chemistry Reviews, 238-239, 31-53.
  • Erdman, N., Warschkow, O., Asta, M., Poeppelmeier, K., Ellis, D., Marks, L. (2003). Surface Structures of SrTiO3 (001): A TiO2-rich Reconstruction with a c(4 x 2) Unit Cell. Journal of the American Chemical Society, 125(33), 10050-10056.
  • Ellis, D., Warschkow, O. (2003). Toward Structure-Function Relations – A Hybrid Quantum / Classical Approach. Advances in Quantum Chemistry, 42, 35-66.
  • Warschkow, O., Ellis, D., Hwang, J., Mansourian-Hadavi, N., Mason, T. (2002). Defects and Charge Transport near the Hematite (0001) Surface: An Atomistic Study of Oxygen Vacancies. Journal of the American Ceramic Society, 85(1), 213-220.
  • Erdman, N., Poeppelmeier, K., Asta, M., Warschkow, O., Ellis, D., Marks, L. (2002). The structure and chemistry of the TiO2-rich surface of SrTiO3 (001). Nature, 419((6902)), 55-58.
  • Guo, C., Warschkow, O., Ellis, D., Dravid, V. (2001). Oxide-Oxide Interfaces: Atomistic and Density Functional Study of Cubic ZrO(2) (100) | NiO (111). Journal of the American Ceramic Society, 84(11), 2677-2684.

Conferences

  • Schofield, S., Curson, N., Warschkow, O., Marks, N., Wilson, H., Simmons, M., Smith, P., Radny, M., McKenzie, D. (2005). Towards the Routine Fabrication of P in Si Nanostructures: Understanding P Precursor Molecules on Si(001). 2005 MRS Spring Meeting, San Francisco, USA: Materials Research Society.

2014

  • Miwa, J., Warschkow, O., Carter, D., Marks, N., Mazzola, F., Simmons, M., Wells, J. (2014). Valley splitting in a silicon quantum device platform. Nano Letters: a journal dedicated to nanoscience and nanotechnology, 14(3), 1515-1519-1515-1519. [More Information]

2013

  • Carter, D., Warschkow, O., Gale, J., Scappucci, G., Klesse, W., Capellini, G., Rohl, A., Simmons, M., McKenzie, D., Marks, N. (2013). Electronic structure of phosphorus and arsenic δ-doped germanium. Physical Review B (Condensed Matter and Materials Physics), 88(11), 1-10. [More Information]
  • Carter, D., Warschkow, O., Marks, N., McKenzie, D. (2013). Electronic structure of two interacting phosphorus d-doped layers in silicon. Physical Review B (Condensed Matter and Materials Physics), 87(4), 1-8. [More Information]
  • TRACEY, D., Delley, B., McKenzie, D., Warschkow, O. (2013). Molecular adsorption on silicon (001): A systematic evaluation of size effects in slab and cluster models. AIP Advances, 3(4), 1-20. [More Information]
  • Schofield, S., Warschkow, O., Belcher, D., Rahnejat, K., Radny, M., Smith, P. (2013). Phenyl attachment to Si(001) via STM manipulation of acetophenone. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 117(11), 5736-5741. [More Information]

2012

  • Fuechsle, M., Miwa, J., Mahapatra, S., Ryu, H., Lee, S., Warschkow, O., Hollenberg, C., Klimeck, G., Simmons, M. (2012). A single-atom transistor. Nature Nanotechnology, 7(4), 242-246. [More Information]
  • Belcher, D., Radny, M., Schofield, S., Smith, P., Warschkow, O. (2012). Guided self-assembly of metal atoms on silicon using organic-molecule templating. Journal of the American Chemical Society, 134(37), 15312-15317. [More Information]
  • Scappucci, G., Warschkow, O., Capellini, G., Klesse, W., McKenzie, D., Simmons, M. (2012). N-type doping of germanium from phosphine: Early stages resolved at the atomic level. Physical Review Letters, 109(7), 1-4. [More Information]
  • Fuechsle, M., Miwa, J., Mahapatra, S., Warschkow, O., Hollenberg, L., Simmons, M. (2012). Realisation of a single-atom transistor in silicon. Royal Society of New South Wales. Journal and Proceedings, 145(443 & 444), 66-74.
  • Fuechsle, M., Miwa, J., Mahapatra, S., Ryu, H., Lee, S., Warschkow, O., Hollenberg, C., Klimeck, G., Simmons, M. (2012). Spectroscopy of a deterministic single-donor device in silicon. Proceedings of SPIE - International Society for Optical Engineering, 8400 (06), 840006-1-840006-7. [More Information]

2011

  • Warschkow, O., Belcher, D., Radny, M., Schofield, S., Smith, P. (2011). Acetic acid on silicon (001): An exercise in chemical analogy. Physical Review B (Condensed Matter and Materials Physics), 84(15), 153302-1-153302-6. [More Information]
  • Warschkow, O., Chuasiripattana, K., Lyle, M., Delley, B., Stampfl, C. (2011). Cu/ZnO(0001) under oxidating and reducing conditions: A first-principles survey of surface structures. Physical Review B (Condensed Matter and Materials Physics), 84, 125311-1-125311-25.
  • Smith, P., Warschkow, O., Radny, M., Schofield, S., Belcher, D. (2011). Dimer pinning and the assignment of semiconductor-adsorbate surface structures. Journal of Chemical Physics, 134(6), 064709-1-064709-9. [More Information]
  • Carter, D., Marks, N., Warschkow, O., McKenzie, D. (2011). Phosphorus δ-doped silicon: mixed-atom pseudopotentials and dopant disorder effects. Nanotechnology, 22(6), 1-10. [More Information]

2010

  • Warschkow, O., Marks, N., Schofield, S., Radny, M., Smith, P., McKenzie, D. (2010). Comment on "Transformation of C-type defects on Si(100)-2 x 1 surface at room temperature STM/STS study [Surf. Sci. 602 (2008) 2835]". Surface Science, 604(2), 235-236.
  • Lyle, M., Warschkow, O., Delley, B., Stampfl, C. (2010). Coverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surface. Physical Review B (Condensed Matter and Materials Physics), 82(16), 165401-1-165401-9.
  • Duan, X., Warschkow, O., Soon, A., Delley, B., Stampfl, C. (2010). Density functional study of oxygen on Cu(100) and Cu(110) surfaces. Physical Review B (Condensed Matter and Materials Physics), 81(7), 075430-1-075430-15.
  • Bennett, J., Warschkow, O., Marks, N., McKenzie, D. (2010). Pathways for thermal phosphorus desorption from the silicon (001) surface. Physical Review B (Condensed Matter and Materials Physics), 82(23), 235417-1-235417-8. [More Information]
  • Chuasiripattana, K., Warschkow, O., Delley, B., Stampfl, C. (2010). Reaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surface. Surface Science, 604(19-20), 1742-1751.

2009

  • Cover, M., Warschkow, O., Bilek, M., McKenzie, D. (2009). A comprehensive survey of M2AX phase elastic properties. Journal of Physics: Condensed Matter, 21(30, Article number 305403), 305403-1-305403-9.
  • Warschkow, O., Gao, I., Schofield, S., Belcher, D., Radny, M., Saraireh, S., Smith, P. (2009). Acetone on silicon (001): ambiphilic molecule meets ambiphilic surface. Physical Chemistry Chemical Physics, 11(15), 2747-2759.
  • Bennett (nee Bell), J., Warschkow, O., Marks, N. (2009). Aminoxyl Radicals on the Silicon (001) Surface. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 113(3), 1020-1027.
  • Belcher, D., Schofield, S., Warschkow, O., Radny, M., Smith, P. (2009). Carbonyl mediated attachment to silicon: Acetaldehyde on Si(001). Journal of Chemical Physics, 131(10), 104707-1-104707-8.
  • Bennett (nee Bell), J., Warschkow, O., Marks, N., McKenzie, D. (2009). Diffusion pathways of phosphorus atoms on silicon (001). Physical Review B (Condensed Matter and Materials Physics), 79(16), 165311-1-165311-9.
  • Carter, D., Warschkow, O., Marks, N., McKenzie, D. (2009). Electronic structure models of phosphorus delta-doped silicon. Physical Review B (Condensed Matter and Materials Physics), 79(3), 033204-1-033204-4. [More Information]
  • Rosen, J., Warschkow, O. (2009). Electronic structure of amorphous indium oxide transparent conductors. Physical Review B (Condensed Matter and Materials Physics), 80(11), 115215-1-115215-10.

2008

  • Cover, M., Warschkow, O., Bilek, M., McKenzie, D. (2008). Elastic properties of Tin+1AlCn and Tin+1AlNn MAX phases. Advanced Engineering Materials, 10(10), 935-938. [More Information]
  • Park, C., Chang, H., Kong, K., Park, J., Im, S., Warschkow, O. (2008). Multiscale simulation studies on the electromechanical properties of carbon nanotubes. Journal of the Korean Physical Society, 52(4), 1281-1286.
  • Warschkow, O., Wang, Y., Subramanian, A., Asta, M., Marks, L. (2008). Structure and local-equilibrium thermodynamics of the c(2x2) reconstruction of rutile TiO2 (100). Physical Review Letters, 100(8), 086102-1-086102-4.
  • Warschkow, O., Schofield, S., Marks, N., Radny, M., Smith, P., McKenzie, D. (2008). Water on silicon (001): C defects and initial steps of surface oxidation. Physical Review B (Condensed Matter and Materials Physics), 77(20), 201305-1-201305-4.

2007

  • Rosen, J., Warschkow, O., McKenzie, D., Bilek, M. (2007). Amorphous and crystalline phases in thermal quench simulations of alumina. Journal of Chemical Physics, 126(20), 204709-1-204709-9.
  • Lanier, C., van de Walle, A., Erdman, N., Landree, E., Warschkow, O., Kazimirov, A., Poeppelmeier, K., Zegenhagen, J., Asta, M., Marks, L. (2007). Atomic-scale structure of the SrTiO3(001)-c(6x2) reconstruction: Experiments and first-principles calculations. Physical Review B (Condensed Matter and Materials Physics), 76(045421), 045421-1-045421-9.
  • Reusch, T., Warschkow, O., Radny, M., Smith, P., Marks, N., Curson, N., McKenzie, D., Simmons, M. (2007). Doping and STM tip-induced changes to single dangling bonds on Si(001). Surface Science, 601(18), 4036-4040.
  • Warschkow, O., McDonell, T., Marks, N. (2007). NH3 on Si (001): Can Gaussian Cluster and Planewave Slab Models Agree on Energetics? Surface Science, 601, 3020-3033.
  • Radny, M., Smith, P., Reusch, T., Warschkow, O., Marks, N., Wilson, H., Schofield, S., Curson, N., McKenzie, D., Simmons, M. (2007). Single Hydrogen Atoms on the Si(001) Surface. Physical Review B (Condensed Matter and Materials Physics), 76(15), 155302-1-155302-13.
  • Radny, M., Smith, P., Reusch, T., Warschkow, O., Marks, N., Shi, H., McKenzie, D., Schofield, S., Curson, N., Simmons, M. (2007). Single P and As dopants in the Si(001) surface. Journal of Chemical Physics, 127(18), 184706-1-184706-9.
  • Reusch, T., Radny, M., Smith, P., Warschkow, O., Marks, N., Curson, N., McKenzie, D., Simmons, M. (2007). Single Phosphorus Atoms in Si(001): Doping-Induced Charge Transfer into Isolated Si Dangling Bonds. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 111(17), 6428-6433.
  • Wang, Y., Warschkow, O., Marks, L. (2007). Surface evolution of rutile TiO2 (100) in an oxidizing environment. Surface Science, 601(1), 63-67.

2006

  • Ellis, D., Terra, J., Warschkow, O., Jiang, M., Gonzalez, G., Okajinski, J., Bedzyke, M., Rossi, A., Eon, J. (2006). A theoretical and experimental study of lead substitution in calcium hydroxyapatite. Physical Chemistry Chemical Physics, 8(8), 967-976.
  • Schofield, S., Curson, N., Simmons, M., Warschkow, O., Marks, N., Wilson, H., McKenzie, D., Smith, P., Radny, M. (2006). Atomic-scale Observation and Control of the Reaction of Phosphine with Silicon. e-Journal of Surface Science and Nanotechnology, 4, 609-613.
  • Radny, M., Smith, P., Reusch, T., Warschkow, O., Marks, N., Wilson, H., Curson, N., Schofield, S., McKenzie, D., Simmons, M. (2006). Importance of charging in atomic resolution scanning tunneling microscopy: study of single phosphorous atom in a Si(001) surface. Physical Review B (Condensed Matter and Materials Physics), 74, 113311-1-113311-4.
  • Warschkow, O., Miljacic, L., Ellis, D., Gonzalez, G., Mason, T. (2006). Interstitial oxygen in tin-doped indium oxide transparent conductors. Journal of the American Ceramic Society, 89(2), 616-619.
  • Schofield, S., Curson, N., Warschkow, O., Marks, N., Wilson, H., Simmons, M., Smith, P., McKenzie, D., Radny, M., Clark, R. (2006). Phosphine dissociation and diffusion on Si(001) observed at the atomic scale. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 110(7), 3173-3179.
  • Tarrant, R., Warschkow, O., McKenzie, D. (2006). Raman spectra of partially oriented sp(2) carbon films: Experimental and modelled. Vibrational Spectroscopy, 41(2), 232-239.
  • Houska, J., Warschkow, O., Bilek, M., McKenzie, D., Vicek, J., Potocky, S. (2006). The effect of argon on the structure of amorphousSiBCN materials: an experimental and ab initio study. Journal of Physics: Condensed Matter, 18(7), 2337-2348.
  • Wilson, H., Warschkow, O., Marks, N., Curson, N., Schofield, S., Reusch, T., Radny, M., Smith, P., McKenzie, D., Simmons, M. (2006). Thermal dissociation & desorption of PH3 on Si(001): A reinterpretation of spectroscopic data. Physical Review B (Condensed Matter and Materials Physics), 74, 195310-1-195310-10.

2005

  • Houska, J., Bilek, M., Warschkow, O., McKenzie, D., Vicek, J. (2005). Ab initio simulations of nitrogen evolution in quenched CNx and SiBCN amorphous materials. Physical Review B (Condensed Matter and Materials Physics), 72(5), 054204-1-054204-6.
  • McDonell, T., Marks, N., Warschkow, O., Wilson, H., Smith, P., Radny, M. (2005). Molecular dissociation of group-V hydrides on Si(001). Physical Review B (Condensed Matter and Materials Physics), 72(19), 193307-1-193307-4.
  • Warschkow, O., Wilson, H., Marks, N., Schofield, S., Curson, N., Smith, P., Radny, M., McKenzie, D., Simmons, M. (2005). Phosphine adsorption and dissociation on the Si(001) surface: An ab initio survey of structures. Physical Review B (Condensed Matter and Materials Physics), 72(12), 125328-1-125328-15.
  • Schofield, S., Curson, N., Warschkow, O., Marks, N., Wilson, H., Simmons, M., Smith, P., Radny, M., McKenzie, D. (2005). Towards the Routine Fabrication of P in Si Nanostructures: Understanding P Precursor Molecules on Si(001). 2005 MRS Spring Meeting, San Francisco, USA: Materials Research Society.

2004

  • Gonzalez, G., Mason, T., Quintana, J., Warschkow, O., Ellis, D., Hwang, J., Hodges, J., Jorgensen, J. (2004). Defect structure studies of bulk and nano-indium-tin oxide. Journal of Applied Physics, 96(7), 3912-3920.
  • Subramanian, A., Marks, L., Warschkow, O., Ellis, D. (2004). Direct Observation of Charge Transfer at a MgO(111) Surface. Physical Review Letters, 92(2), 026101-1-026101-4.
  • Wilson, H., Warschkow, O., Marks, N., Schofield, S., Curson, N., Smith, P., Radny, M., McKenzie, D., Simmons, M. (2004). Phosphine Dissociation On The Si(001) Surface. Physical Review Letters, 93(22), 226102-1-226102-4.
  • Warschkow, O., Asta, M., Erdman, N., Poeppelmeier, K., Ellis, D., Marks, L. (2004). Tio2-Rich Reconstructions Of Srtio3(001): A Theoretical Study Of Structural Patterns. Surface Science, 573(3), 446-456.

2003

  • Warschkow, O., Ellis, D., Gonzalez, G., Mason, T. (2003). Defect Cluster Aggregation and Nonreducibility in Tin-Doped Indium Oxide. Journal of the American Ceramic Society, 86(10), 1707-1711.
  • Warschkow, O., Ellis, D., Gonzalez, G., Mason, T. (2003). Defect Structures of Tin-Doped Indium Oxide. Journal of the American Ceramic Society, 86(10), 1700-1706.
  • Ellis, D., Warschkow, O. (2003). Evolution of Classical / Quantum Methodologies: Applications to Oxide Surfaces and Interfaces. Coordination Chemistry Reviews, 238-239, 31-53.
  • Erdman, N., Warschkow, O., Asta, M., Poeppelmeier, K., Ellis, D., Marks, L. (2003). Surface Structures of SrTiO3 (001): A TiO2-rich Reconstruction with a c(4 x 2) Unit Cell. Journal of the American Chemical Society, 125(33), 10050-10056.
  • Ellis, D., Warschkow, O. (2003). Toward Structure-Function Relations – A Hybrid Quantum / Classical Approach. Advances in Quantum Chemistry, 42, 35-66.

2002

  • Warschkow, O., Ellis, D., Hwang, J., Mansourian-Hadavi, N., Mason, T. (2002). Defects and Charge Transport near the Hematite (0001) Surface: An Atomistic Study of Oxygen Vacancies. Journal of the American Ceramic Society, 85(1), 213-220.
  • Erdman, N., Poeppelmeier, K., Asta, M., Warschkow, O., Ellis, D., Marks, L. (2002). The structure and chemistry of the TiO2-rich surface of SrTiO3 (001). Nature, 419((6902)), 55-58.

2001

  • Guo, C., Warschkow, O., Ellis, D., Dravid, V. (2001). Oxide-Oxide Interfaces: Atomistic and Density Functional Study of Cubic ZrO(2) (100) | NiO (111). Journal of the American Ceramic Society, 84(11), 2677-2684.

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