Facility Publications

14. I-H Choi, P. Y. Yu, P. Tangney, and S. G. Louie, "Vibrational properties of single walled carbon nanotubes under pressure from Raman scattering experiments and molecular dynamics simulations", Phys. Stat. Sol. (b) 244, 121 (2007) [user project]

13. S. Y. Quek, J. B. Neaton, M. S. Hybertsen, E. Kaxiras, and S. G. Louie, "Negative differential resistance in hybrid organic-Si molecular junctions", Phys. Rev. Lett., in press (2007) [user project]

12. P. Tangney, "On the theory underlying the Car-Parrinello method and the role of the fictitious mass parameter", J. Chem. Phys. 124, 044111 (2006)

11. S. B. Cronin, Y. Yin, A. Walsh, R. B. Capaz, A. Stolyarov, P. Tangney, M. L. Cohen, S. G. Louie, A. K. Swan, M. S. Ünlü, B. B. Goldberg, and M. Tinkham, "Temperature dependence of the optical transition energies of carbon nanotubes: The role of electron-phonon coupling and thermal expansion", Phys. Rev. Lett. 96, 127403 (2006)

10. S. Y. Quek, J. B. Neaton, M. S. Hybertsen, E. Kaxiras, and S. G. Louie, "First-principles studies of the electronic structure of cyclopentene on Si(001): density functional theory and GW calculations", Phys. Stat. Sol. (b) 243, 2048 (2006) [user project]

9. A. T. Zayak, X. Huang, J. B. Neaton, and K. M. Rabe, "Structural, electronic, and magnetic properties of SrRuO3 under epitaxial strain", Phys. Rev. B 74, 094104 (2006) [user project]

8. F. J. Ribeiro, P. Tangney, S. G. Louie, and M. L. Cohen, "Hypothetical hard structures of carbon with cubic symmetry", Phys. Rev. B 74, 172101 (2006)

7. P. Tangney, M. L. Cohen, and S. G. Louie, "Giant wave-drag enhancement of friction in sliding carbon nanotubes", Phys. Rev. Lett. 97, 195901 (2006)

6. J. B. Neaton, M. S. Hybertsen, and S. G. Louie, "Renormalization of molecular electronic levels at metal-molecule interfaces", Phys. Rev. Lett. 97, 216405 (2006) [user project]

5. J. B. Neaton, K. H. Khoo, C. D. Spataru, S. G. Louie, "Electron transport and optical properties of carbon nanostructures from first principles", Comp. Phys. Comm. 169, 1 (2005)

4. F. J. Ribeiro, J. B. Neaton, S. G. Louie, and M. L. Cohen, "Mechanism for bias-assisted indium mass transport on carbon nanotube surfaces", Phys. Rev. B 72, 075302 (2005)

3. P. Tangney, R. B. Capaz, C. D. Spataru, M. L. Cohen, and S. G. Louie, "Structural transformations of carbon nanotubes under hydrostatic pressure", Nano Lett. 5, 2268 (2005)

2. A. Posadas, J.-B. Yau, J. Han, C. Ahn, S. Gariglio, K. Johnston, J. B. Neaton, and K. M. Rabe, "Epitaxial growth of YMnO3 on GaN", Appl. Phys. Lett. 87, 171915 (2005)

1. F. J. Ribeiro, S. G. Louie, M. L. Cohen, and P. Tangney, "Structural and electronic properties of carbon in hybrid diamond-graphite structures", Phys. Rev. B 72, 214109 (2005)