Publications

CSC research acknowledged in publications and presentations.

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Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 2308708) at UC Santa Barbara.

Selected Publications

2012

Phonon-Limited Transport in Graphene Pseudospintronic Devices
Estrada, Z. J., Dellabetta, B., Ravaioli, U., & Gilbert, M. J. (2012). Phonon-Limited Transport in Graphene Pseudospintronic Devices. Electron Device Letters, Ieee, 33, 1465-1467.
Probing Gas Motions in the Intra-Cluster Medium: A Mixture Model Approach
Shang, C., & Oh, P. (2012). Probing Gas Motions in the Intra-Cluster Medium: A Mixture Model Approach. Monthly Notices Of The Royal Astronomical Society, 426, 3435. https://doi.org/http://dx.doi.org/10.1111/j.1365-2966.2012.21897.x
Pseudospin Transfer Torques in Semiconductor Electron Bilayers
Kim, Y., MacDonald, A. H., & Gilbert, M. J. (2012). Pseudospin Transfer Torques in Semiconductor Electron Bilayers. Phys. Rev. B, in press.
Pyramidal Lattice Structures for High Strength and Energy Absorption
Hammetter, C. I., Rinaldi, R. G., & Zok, F. W. (2012). Pyramidal Lattice Structures for High Strength and Energy Absorption. Journal Of Applied Mechanics, (in press).
Relaxation and coalescence of two equal-sized viscous drops in a quiescent matrix
Vannozzi, C. (2012). Relaxation and coalescence of two equal-sized viscous drops in a quiescent matrix. J. Fluid Mech., 694, 408.
Robust Estimation of ARMA Models with Near Root Cancellation
Cogley, T., & Startz, R. (2012). Robust Estimation of ARMA Models with Near Root Cancellation. Submitted.
Role of complex defects in photocatalytic activities of nitrogen-doped anatase TiO(2).
Umezawa, N., & Ye, J. (2012). Role of complex defects in photocatalytic activities of nitrogen-doped anatase TiO(2). Physical Chemistry Chemical Physics, 14, 5924\textendash34. https://doi.org/10.1039/c2cp24010f (Original work published 05/2012 C.E.)
Role of nitrogen vacancies in the luminescence of Mg-doped GaN
Yan, Q., Janotti, A., Scheffler, M., de Walle, V., & G, C. (2012). Role of nitrogen vacancies in the luminescence of Mg-doped GaN. Applied Physics Letters, 100, 142110.
Role of self-trapping in luminescence and p-type conductivity of wide-band-gap oxides
Varley, J. B., Janotti, A., Franchini, C., & Van de Walle, C. G. (2012). Role of self-trapping in luminescence and p-type conductivity of wide-band-gap oxides. Phys. Rev. B, 85, 81109.
Scaling Behavior and Beyond Equilibrium in the Hexagonal Manganites
Griffin, S. M., Lilienblum, M., Delaney, K. T., Kumagai, Y., Fiebig, M., & Spaldin, N. A. (2012). Scaling Behavior and Beyond Equilibrium in the Hexagonal Manganites. Physical Review X, 2(4), 41022.
Shallow versus Deep Nature of Mg Acceptors in Nitride Semiconductors
Lyons, J. L., Janotti, A., & Van de Walle, C. G. (2012). Shallow versus Deep Nature of Mg Acceptors in Nitride Semiconductors. Phys. Rev. Letters, 108, 156403.
Single well or double well: First-principles study of 8H and 3C inclusions in the 4H SiC polytype
Miao, M. -S., & Lambrecht, W. R. L. (2012). Single well or double well: First-principles study of 8H and 3C inclusions in the 4H SiC polytype. Physical Review B, 85, 205318. https://doi.org/10.1103/PhysRevB.85.205318 (Original work published 05/2012 C.E.)
Solar cell efficiency, self-assembly and dipole-dipole interactions of isomorphic narrow bandgap molecules
Takacs, C. J., Sun, Y., Welch, G. C., Perez, L. A., Liu, X., Wen, W., et al. (2012). Solar cell efficiency, self-assembly and dipole-dipole interactions of isomorphic narrow bandgap molecules. Journal Of The American Chemical Society, 134, 16597.
Strain effects and band parameters in MgO, ZnO, and CdO
Yan, Q., Rinke, P., Winkelnkemper, M., Qteish, A., Bimberg, D., Scheffler, M., & Van de Walle, C. G. (2012). Strain effects and band parameters in MgO, ZnO, and CdO. Appl. Phys. Lett., 101, 152105.
Theoretical model for artificial structure modulation of HfO2/SiOx/Si interface by deposition of a dopant material
Umezawa, N., & Shiraishi, K. (2012). Theoretical model for artificial structure modulation of HfO2/SiOx/Si interface by deposition of a dopant material. Applied Physics Letters, 100, 092904. https://doi.org/10.1063/1.3689968 (Original work published 02/2012 C.E.)
Topological Excitonic Superfluids in Three Dimensions
Kim, Y., Hankiewicz, E. M., & Gilbert, M. J. (2012). Topological Excitonic Superfluids in Three Dimensions. Physical Review B, 86, 184504.
Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis
Miao, M. -S., Kurzman, J. A., Mammen, N., Narasimhan, S., & Seshadri, R. (2012). Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem., 51, 7569.

2011

Advances in electronic structure methods for defects and impurities in solids
Van de Walle, C. G., & Janotti, A. (2011). Advances in electronic structure methods for defects and impurities in solids. Phys. Status Solidi B, 248, 19.
Band parameters and strain effects in ZnO and group-III nitrides
Yan, Q., Rinke, P., Winkelnkemper, M., Qteish, A., Bimberg, D., Scheffler, M., & Van de Walle, C. G. (2011). Band parameters and strain effects in ZnO and group-III nitrides. Semicond. Sci. Technol., 26, 14037.
CO2 methanation on Ru-doped ceria
Sharma, S., Hu, Z., Zhang, P., McFarland, E. W., & Metiu, H. (2011). CO2 methanation on Ru-doped ceria. Journal Of Catalysis, 278, 297\textendash309. https://doi.org/10.1016/j.jcat.2010.12.015 (Original work published mar)