Publications

Search

Show only items where

Author

Type

Term

Year

Keyword

2009

Smith A., Mizoguchi H., Delaney KT, Spaldin N.A, Sleight A., Subramanian M.A. 2009. Mn3+ in Trigonal Bipyramidal Coordination: a New Blue Chromophore. J. Am. Chem. Soc.. 131:17084-17086.

Janotti A, Snow E, Van de Walle CG. 2009. A pathway to p-type wide-band-gap semiconductors. Appl. Phys. Lett.. 95:172109.

Weber J.R., Janotti A., Van de Walle C.G.. 2009. Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.

Weber J.R., Janotti A., Van de Walle C.G.. 2009. Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.

Lyons J.L, Janotti A., Van de Walle C.G. 2009. Role of Si and Ge as impurities in ZnO. Phys. Rev. B. 80:205113.

Peng Y, Xie S, Zheng Y, Brown FLH. 2009. Single-molecule photon emission statistics for systems with explicit time dependence: Generating function approach. J. Chem. Phys.. 131:214107.

Umezawa N., Shiraishi K., Chikyow T.. 2009. Stability of Si impurity in high-? oxides Microelectronic Engineering. 86:1780.

Yan Q, Rinke P, Scheffler M, Van de Walle CG. 2009. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.

Yan Q, Rinke P, Scheffler M, Van de Walle CG. 2009. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.

Delaney K.T, Mostovoy M., Spaldin N.A. 2009. Superexchange-Driven Magnetoelectricity in Magnetic Vortices. Phys. Rev. Lett.. 102:157203.

Lyons J.L, Janotti A., Van de Walle C.G. 2009. Why nitrogen cannot lead to p-type conductivity in ZnO. Appl. Phys. Lett.. 95:252105.

2008

Van de Walle C.G, Pelesa A., Janottia A., Wilson-Shorta G.B.. 2008. Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B. Physics of Condensed Matter

Limpijumnong S., Reunchan P., Janotti A., Van de Walle C.G. 2008. Carbon-nitrogen molecules in GaAs and GaP. Phys. Rev. B. 77:195209.

Chrétien S., Buratto S.K, Metiu H.. 2008. Catalysis by very small Au clusters. Current Opinion in Solid State and Materials Science. 11(5-6):62-75.

Kim HYou, Lee HMo, Pala R.GS, Shapovalov V., Metiu H.. 2008. CO Oxidation by Rutile TiO2(110) Doped with V, W, Cr, Mo, and Mn. J. Phys. Chem. C. 112:12398.

Bellesia G., Lampoudi S., . S, Shea J.-E.. 2008. Computational Methods in Nanostructure Design: Replica Exchange Simulations of Self-Assembling Peptides. G.Bellesia, S. Lampoudi, S. & J.-E. Shea. 474:9.

Van deWalle CG. 2008. Computational studies of conductivity in wide-band-gap semiconductors and oxides. J. Phys.. Condens. Matter:20.

Zhang R., Brown F.LH. 2008. Cytoskeleton mediated effective elastic properties of model red blood cell membranes. J. Chem. Phys.. 129:65101.

Brown F.LH. 2008. Elastic Modeling of Biomembranes and Lipid Bilayers. Annual Review of Physical Chemistry. 59:685-712.

Peles A., Janotti A., Van de Walle C.G. 2008. Electrical activity of hydrogen impurities in GaSb: First-principles calculations. Phys. Rev. B. 78:35204.

Rondinelli J.M, Caffrey N.M, Sanvito S., Spaldin N.A. 2008. Electronic properties of bulk and thin film SrRuO3: a search for the metal-insulator transition. Phys. Rev. B. 78:155107.

Penev E., Ireta J., Shea J.E.. 2008. Energetics of infinite homopolypeptide chains: a new look at commonly used force fields. J Phys Chem B. 112:6872.

Chrétien S., Metiu H.. 2008. Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules. J. Chem. Phys.. 128:44714.

Janotti A., Reunchan P., Limpijumnong S., Van de Walle C.G. 2008. Mutual Passivation of Electrically Active and Isovalent Impurities in Dilute Nitrides. Phys. Rev. Lett.. 100:45505.

Jho Y.S, Kim M.W, Pincus P.A, Brown F.LH. 2008. A numerical study of the electrostatic properties of two finite-width charged dielectric slabs in water. J. Chem. Phys.. 129:134511.

Pages

Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

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 1720256) at UC Santa Barbara.