Publications by Year: 2005

Barnett R, Demler E, Kaxiras E. Electron-phonon interaction in ultrasmall-radius carbon nanotubes. Phys. Rev. B. 2005;71 :035429.
Lu G, Kaxiras E. Hydrogen embrittlement of aluminum: The crucial role of vacancies. Phys. Rev. Lett. 2005;94.
Mo Y, Varga K, Kaxiras E, Zhang Z. Kinetic pathway for the formation of Fe nanowires on stepped Cu(111) surfaces. Phys. Rev. Lett. 2005;94.
Choly N, Lu G, E W, Kaxiras E. Multiscale simulations in simple metals: A density-functional-based methodology. Phys. Rev. B. 2005;71 :094101.
Tsolakidis A, Kaxiras E. A TDDFT study of the optical response of DNA bases, base pairs and their tautomers in the gas phase. J. Phys. Chem. A. 2005;109.
Quek SY, Biener MM, Biener J, Friend CM, Kaxiras E. Tuning electronic properties of novel metal oxide nanocrystals using interface interactions:MoO3 monolayers on Au(111). Surface Sci. Lett. 2005;577.
Lu G, Maragakis P, Kaxiras E. Carbon nanotube interaction with DNA. Nano Lett. 2005;5 :897.
Lu G, Tadmor E, Kaxiras E. From electrons to finite elements: A concurrent multiscale approach formetals. Phys. Rev. B. 2005;73 :024108.
Frankcombe TJ, Kroes GJ, Choly NI, Kaxiras E. Orbital-free density functional theory applied to NaAlH4. J. Phys. Chem. B. 2005;109 :16554.
Barnett R, Demler E, Kaxiras E. Superconducting and charge-density wave instabilities in ultrasmall-radius carbon nanotubes. Solid State Comm. 2005;135 :335.