We obtain analytical expressions for the electron self-energy and the electron-phonon coupling in electron-doped graphene using electron-phonon matrix elements extracted from density functional theory simulations. From the electron self-energies we calculate angle-resolved photoemission spectra (ARPES). We demonstrate that the measured kink at -0.2 eV from the Fermi level is actually composed of two features, one at -0.195 eV due to the twofold-degenerate E2g mode, and a second one at -0.16 eV due to the A1′ mode. The electron-phonon coupling extracted from the kink observed in ARPES experiments is roughly a factor of 5.5 larger than the calculated one. This disagreement can be only partially reconciled by the inclusion of resolution effects. Indeed, we show that a finite resolution increases the apparent electron-phonon coupling by underestimating the renormalization of the electron velocity at energies larger than the kink positions. The discrepancy between theory and experiments is thus reduced to a factor of 2.5. From the linewidth of the calculated ARPES we obtain the electron relaxation time. A comparison with available experimental data in graphene shows that the electron relaxation time detected in ARPES is almost two orders of magnitudes smaller than that measured by other experimental techniques. © 2007 The American Physical Society.
Electron-phonon coupling and electron self-energy in electron-doped graphene: Calculation of angular-resolved photoemission spectra / Calandra, M.; Mauri, F.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 76:20(2007). [10.1103/PhysRevB.76.205411]
Electron-phonon coupling and electron self-energy in electron-doped graphene: Calculation of angular-resolved photoemission spectra
Calandra M.;
2007-01-01
Abstract
We obtain analytical expressions for the electron self-energy and the electron-phonon coupling in electron-doped graphene using electron-phonon matrix elements extracted from density functional theory simulations. From the electron self-energies we calculate angle-resolved photoemission spectra (ARPES). We demonstrate that the measured kink at -0.2 eV from the Fermi level is actually composed of two features, one at -0.195 eV due to the twofold-degenerate E2g mode, and a second one at -0.16 eV due to the A1′ mode. The electron-phonon coupling extracted from the kink observed in ARPES experiments is roughly a factor of 5.5 larger than the calculated one. This disagreement can be only partially reconciled by the inclusion of resolution effects. Indeed, we show that a finite resolution increases the apparent electron-phonon coupling by underestimating the renormalization of the electron velocity at energies larger than the kink positions. The discrepancy between theory and experiments is thus reduced to a factor of 2.5. From the linewidth of the calculated ARPES we obtain the electron relaxation time. A comparison with available experimental data in graphene shows that the electron relaxation time detected in ARPES is almost two orders of magnitudes smaller than that measured by other experimental techniques. © 2007 The American Physical Society.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione