First-principles study of quasiparticle energies of a bipolar molecule in a scanning tunneling microscope measurement

Computational Materials Science

Volumn 91, Issue , 2014, Pages 187-191

  Samsonidze, Georgy ^a,b   Cohen, Marvin L ^a,b   Louie, Steven G ^a,b,c  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c ROBERT BOSCH GMBH   (Germany)

Author keywords

Bipolar molecule; GW approximation; Image charge model; Quasiparticle band gap; Scanning tunneling spectroscopy

Indexed keywords

DIELECTRIC FILMS; EXPERIMENTS; NAPHTHALENE; SCANNING TUNNELING MICROSCOPY;

FIRST-PRINCIPLES STUDY; GW APPROXIMATION; IMAGE-CHARGE MODEL; QUANTITATIVE AGREEMENT; QUASIPARTICLE BANDS; QUASIPARTICLE ENERGY; SCANNING TUNNELING SPECTROSCOPY; THIN DIELECTRIC FILM;

MOLECULES;

EID: 84901416918     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.04.049     Document Type: Article

References (18)

1. C. Tao, J. Sun, X. Zhang, R. Yamachika, D. Wegner, Y. Bahri, G. Samsonidze, M.L. Cohen, S.G. Louie, T.D. Tilley, R.A. Segalman, and M.F. Crommie Nano Lett. 9 2009 3963
2. L. Hedin, and S. Lundqvist Effects of electron-electron and electron-phonon interactions on the one-electron states of solids F. Seitz, D. Turnbull, H. Ehrenreich, Advances in Research and Applications, of Solid State Physics vol. 23 1970 Academic Press 1 181
3. M.S. Hybertsen, and S.G. Louie Phys. Rev. B 34 1986 5390
4. J.B. Neaton, M.S. Hybertsen, and S.G. Louie Phys. Rev. Lett. 97 2006 216405
5. J.M. García-Lastra, C. Rostgaard, A. Rubio, and K.S. Thygesen Phys. Rev. B 80 2009 245427
6. J.P. Perdew, and A. Zunger Phys. Rev. B 23 1981 5048
7. N. Troullier, and J.L. Martins Phys. Rev. B 43 1991 1993
8. L. Kleinman, and D.M. Bylander Phys. Rev. Lett. 48 1982 1425
9. M.L. Cohen, M. Schlüter, J.R. Chelikowsky, and S.G. Louie Phys. Rev. B 12 1975 5575
10. B.G. Pfrommer, J. Demmel, and H. Simon J. Comp. Phys. 150 1999 287
11. J. Deslippe, G. Samsonidze, D. Strubbe, M. Jain, M.L. Cohen, and S.G. Louie Comput. Phys. Commun. 183 2012 1269
12. S. Ismail-Beigi Phys. Rev. B 73 2006 233103
13. J. Deslippe, G. Samsonidze, M. Jain, M.L. Cohen, and S.G. Louie Phys. Rev. B 87 2013 165124
14. N.D. Lang, and W. Kohn Phys. Rev. B 7 1973 3541
15. S.C. Lam, and R.J. Needs J. Phys.: Condens. Matter 5 1993 2101
16. J.G. Simmons J. Appl. Phys. 34 1963 1793
17. G. Binnig, and H. Rohrer Helv. Phys. Acta 55 1982 726
18. F. Bruneval, N. Vast, and L. Reining Phys. Rev. B 74 2006 045102