Current Research

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Barry Haycock
Recent Publications

B. Haycock, D. G. Trabada, J. Ortega, J.D. O’Mahony, and J.P. Lewis, 2011, ”Metalization of the K-overlayer on the β-SiC(100) c(4X2) Surface,” J. Phys. Cond. Matter (Submitted June 2012)
B. Haycock, D. G. Trabada, J. Ortega, J.D. O’Mahony, and J.P. Lewis, 2011, “Soft phonon effects on the electronic structure of the silicon-poor 3C-SiC(111) and 6H-SiC(0001) surfaces,” Phys. Rev. Lett. (Submitted August 2012)
B. Haycock, M.K. Underwood, J. Lekse, C. Matranga, and J.P. Lewis, “High Throughput Calculations of Transparent Conducting Oxide CuGa1-xFexO2 Delafossite structures”, 2012(In preparation)
M.K. Underwood, B. Haycock, J. Lekse, C. Matranga, and J. P. Lewis,* “Strain-Induced Photoabsorption in Transparent Conducting Oxide
CuGa1-xFexO2 Delafossites” 2012 (In preparation)
B. Haycock, J. Ortega, and Lewis, J. P. (2011), “Failure of potassium dimer formation on the β-SiC(100)-c(4 × 2) surface.” physica status solidi (b), 248: 2072–2075. doi: 10.1002/pssb.201147170
Lewis, J. P., Jelínek, P., Ortega, J., Demkov, A. A., Trabada, D. G., Haycock, B., Wang, H., Adams, G., Tomfohr, J. K., Abad, E., Wang, H. and Drabold, D. A. (2011), “Advances and applications in the FIREBALLab initio tight-binding molecular-dynamics formalism.” physica status solidi (b), 248: 1989–2007. doi: 10.1002/pssb.201147259
Current research interests include:

Silicon Carbide surfaces- studies of the Mott-Hubbard metal-insulator transition on the SiC (111) and equililant surfaces. Metallic overlayers on the SiC(001) surface, where surface metallization occurs with hydrogen deposition.

Delafoissites materials- specifically, delafoissites are of the form ABO2 where A is some Group I metal and B is a Group IIIa or Group IIIb element. The doping of one element in the material with another lead to a lot of interesting stain-inducted properties. Currently I'm working on doping to break the inversion symmetry in a prototypical delafoissite material which should make a forbidden optical transition permitted for use in optically-inducted catalysis.

Development of developing fast, multi-scale, massively parallel computing tools for characterizing electronic, magnetic and thermodynamic properties of solids from first principles.