Phonon surface mapping of graphite: Disentangling quasi-degenerate phonon dispersions

被引:66
作者
Grueneis, A. [1 ,2 ]
Serrano, J. [3 ]
Bosak, A. [4 ]
Lazzeri, M. [5 ,6 ]
Molodtsov, S. L. [7 ]
Wirtz, L. [8 ]
Attaccalite, C. [9 ,10 ]
Krisch, M. [4 ]
Rubio, A. [9 ,10 ,11 ]
Mauri, F. [5 ,6 ]
Pichler, T. [1 ]
机构
[1] Univ Vienna, Fac Phys, A-1090 Vienna, Austria
[2] IFW Dresden, D-01171 Dresden, Germany
[3] Univ Politecn Cataluna, EPSC, ICREA Dept Fis Aplicada, Castelldefels 08860, Spain
[4] European Synchrotron Radiat Facil, F-38043 Grenoble, France
[5] Univ Paris 06, IMPMC, IPGP, CNRS, F-75015 Paris, France
[6] Univ Paris 07, IMPMC, IPGP, CNRS, F-75015 Paris, France
[7] Tech Univ Dresden, Inst Festkorperphys, D-01069 Dresden, Germany
[8] Inst Elect Microelect & Nanotechnol, CNRS UMR 8520, Dept ISEN, F-59652 Villeneuve Dascq, France
[9] Univ Basque Country, Nanobio Spect Grp, Ctr Fis Mat CSIC UPV EHU MPC & DIPC, E-20018 San Sebastian, Spain
[10] Univ Basque Country, ETSF Sci Dev Ctr, Dpto Fis Mat, Ctr Fis Mat CSIC UPV EHU MPC & DIPC, E-20018 San Sebastian, Spain
[11] Fritz Haber Inst, Max Planck Soc, Theory Dept, D-14195 Berlin, Germany
关键词
band structure; electron-phonon interactions; graphite; phonon dispersion relations; photoelectron spectra; Raman spectra; surface phonons; X-ray scattering; APPROXIMATION; SCATTERING; GRAPHENE;
D O I
10.1103/PhysRevB.80.085423
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The two-dimensional mapping of the phonon dispersions around the K point of graphite by inelastic x-ray scattering is provided. The present work resolves the longstanding issue related to the correct assignment of transverse and longitudinal phonon branches at K. We observe an almost degeneracy of the three TO-, LA-, and LO-derived phonon branches and a strong phonon trigonal warping. Correlation effects renormalize the Kohn anomaly of the TO mode, which exhibits a trigonal warping effect opposite to that of the electronic band structure. We determined the electron-phonon coupling constant to be 166 (eV/A degrees)(2) in excellent agreement to GW calculations. These results are fundamental for understanding angle-resolved photoemission, double-resonance Raman and transport measurements of graphene-based systems.
引用
收藏
页数:5
相关论文
共 38 条
[21]   Phonon linewidths and electron-phonon coupling in graphite and nanotubes [J].
Lazzeri, M ;
Piscanec, S ;
Mauri, F ;
Ferrari, AC ;
Robertson, J .
PHYSICAL REVIEW B, 2006, 73 (15)
[22]   Impact of the electron-electron correlation on phonon dispersion: Failure of LDA and GGA DFT functionals in graphene and graphite [J].
Lazzeri, Michele ;
Attaccalite, Claudio ;
Wirtz, Ludger ;
Mauri, Francesco .
PHYSICAL REVIEW B, 2008, 78 (08)
[23]   Nonadiabatic Kohn anomaly in a doped graphene monolayer [J].
Lazzeri, Michele ;
Mauri, Francesco .
PHYSICAL REVIEW LETTERS, 2006, 97 (26)
[24]   Phonon dispersion in graphite -: art. no. 075501 [J].
Maultzsch, J ;
Reich, S ;
Thomsen, C ;
Requardt, H ;
Ordejón, P .
PHYSICAL REVIEW LETTERS, 2004, 92 (07)
[25]   Phonon dispersion of graphite by inelastic x-ray scattering [J].
Mohr, M. ;
Maultzsch, J. ;
Dobardzic, E. ;
Reich, S. ;
Milosevic, I. ;
Damnjanovic, M. ;
Bosak, A. ;
Krisch, M. ;
Thomsen, C. .
PHYSICAL REVIEW B, 2007, 76 (03)
[26]   First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives [J].
Mounet, N ;
Marzari, N .
PHYSICAL REVIEW B, 2005, 71 (20)
[27]   Ab initio phonon calculations in solids [J].
Pavone, P ;
Bauer, R ;
Karch, K ;
Schutt, O ;
Vent, S ;
Windl, W ;
Strauch, D ;
Baroni, S ;
de Gironcoli, S .
PHYSICA B-CONDENSED MATTER, 1996, 219-20 :439-441
[28]  
Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865
[29]   Breakdown of the adiabatic Born-Oppenheimer approximation in graphene [J].
Pisana, Simone ;
Lazzeri, Michele ;
Casiraghi, Cinzia ;
Novoselov, Kostya S. ;
Geim, A. K. ;
Ferrari, Andrea C. ;
Mauri, Francesco .
NATURE MATERIALS, 2007, 6 (03) :198-201
[30]   Kohn anomalies and electron-phonon interactions in graphite [J].
Piscanec, S ;
Lazzeri, M ;
Mauri, F ;
Ferrari, AC ;
Robertson, J .
PHYSICAL REVIEW LETTERS, 2004, 93 (18) :185503-1