of 1 /1
R EFERENCES [1] T. G. Pedersen et al., Phys. Rev. Lett. 100, 136804 (2008). [2]J. Zimmermann, P. Pavone, and G. Cuniberti, Phys. Rev. B 78, 045410 (2008). [3]V. Perebeinos and J. Tersoff, Phys. Rev. B 79, 241409(R) (2009). [4] N. Vukmirovi´ c, V. M. Stojanovi´ c, and M. Vanevi´ c, Phys. Rev. B 81, 041408(R) (2010). [5] V. M. Stojanovi´ c, N. Vukmirovi´ c, and C. Bruder, Phys. Rev. B 82, 165410 (2010). [6] J. Bai et al., Nat. Nanotechnol. 5, 190 (2010). C ONCLUSIONS &O UTLOOK In graphene antidot lattices, optical phonons play an important role; large mass enhancement ob- tained is a signature of polaronic behavior. Future study of transport in graphene antidot lat- tices should include inelastic degrees of freedom. To understand charge transport in a field-effect transistor geometry [6], one should study the in- terplay of Peierls-type coupling and long-range coupling at the interface between graphene anti- dot lattices and polar substrates such as SiO 2 . M ASS ENHANCEMENT The phonon-induced renormalization is character- ized by the quasiparticle weight at the conduction band-bottom Z c (k = 0), which we evaluate using Rayleigh-Schr¨ odinger perturbation theory. FIG. 6: The inverse quasiparticle weights Z -1 c (k = 0) for the {L, R =5} [(a)] and {L, R =7} [(b)] graphene antidot lattices. The e-ph mass enhancement in direction α = x, y m eff m * e α = Z -1 c (k = 0) 1+ ∂ε c (k α ) Re Σ c (k α ) k α =0=E c (0) . is rather large. Its anisotropy is determined by that of the bare-band mass rather than by phonon-related effects. E LECTRON - PHONON COUPLING Dominant mechanism of electron-phonon interac- tion in all sp 2 -bonded carbon-based systems is the modulation of π -electron hopping integrals due to lattice distortions (Peierls-type coupling). Optical phonons modulate (elongate or contract) the in- plane C-C bond and thus alter the overlap between the out-of-plane π orbitals. This renders π -electron hopping integrals dynamically bondlength-dependent tu cc )= t + αΔu cc , as illustrated in Fig. 4. FIG. 4: Illustration of Peierls-type coupling. In the tight-binding electron basis, the real space electron-phonon coupling Hamiltonian reads ˆ H ep = α 2 X R,m,δ ( ˆ a R+d m +δ ˆ a R+d m +H.c. ) × ˆ u λ,R+d m +δ - ˆ u λ,R+d m · ¯ δ . ¯ δ δ /kδ k is the unit vector in the direction of δ , ˆ u λ,R+d m is the phonon (branch λ) normal coordi- nate of an atom at R + d m , and α =5.27 eV/ ˚ A is the coupling constant. In momentum space ˆ H ep = 1 N X k,q,λ,n γ λ nn (k, qa n,k+q ˆ a n,k ( ˆ b -q+ ˆ b q) , where ˆ a n,k annihilates an electron with quasimo- mentum k in the n-th Bloch band and ˆ b qa phonon of branch λ with quasimomentum q. The function γ λ nn (k, q) strongly depends on both k and q; for electrons at the bottom of the conduction band, it is largest for small phonon momenta [see Fig. 5(a)]. (a) (b) (c) (d) FIG. 5: The q-dependence of the moduli |γ λ cc (k = 0, q)| of the electron-phonon vertex functions for a conduction-band electron at k =0 and high- energy phonon branches in the Brillouin zones of the {L = 13,R =5} [(a),(b)] and {L = 15,R = 7} [(c),(d)] graphene antidot lattices. P HONON SPECTRA The phonon spectra of the {L, R =5} and {L, R = 7} families of lattices are computed using two mod- els that yield accurate results for graphene itself: the fourth-nearest-neighbor force-constant (4NNFC) model [2] and the valence force-field (VFF) model [3]. The highest optical-phonon energy is essentially inherited from graphene and only weakly depen- dent on L and R; this energy is 195.3 meV in the 4NNFC approach (197.5 meV in the VFF approach). FIG. 3: The phonon density-of-states for the {L = 17,R =5} graphene antidot lattice, obtained using the 4NNFC and VFF models. E LECTRONIC STRUCTURE We study band structure of antidot lattices with 300 - 1600 atoms per unit cell, using a nearest- neighbor tight-binding model for π electrons. FIG. 2: Typical band structure of graphene antidot lattices with circular antidots. Because of particle- hole symmetry inherent to the model, only bands above the Fermi level (E =0) are displayed. Graphene antidot lattices, superlattices of holes (an- tidots) in a graphene sheet, display a direct band gap whose magnitude can be controlled via the an- tidot size and density. For more details, see Ref. 1. FIG. 1: (a) Finite segment of a graphene antidot lattice; (b) hexagonal unit cell of the antidot lattice {L, R} with circular antidots. L and R are dimen- sionless numbers, lengths expressed in units of the graphene lattice constant a 2.46 ˚ A. Vladimir M. Stojanovi´ c 1 , Nenad Vukmirovi´ c 2 , and C. Bruder 1 1 Department of Physics, University of Basel 2 Lawrence Berkeley National Laboratory, USA P OLARONIC SIGNATURES AND SPECTRAL PROPERTIES OF GRAPHENE ANTIDOT LATTICES

Vladimir M. Stojanovic´ , Nenad Vukmirovic´ , and C. Bruderquantumtheory.physik.unibas.ch/people/stojanovic/GrapheneWeek... · Vladimir M. Stojanovic

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  • REFERENCES[1] T. G. Pedersen et al., Phys. Rev. Lett. 100,

    136804 (2008).

    [2] J. Zimmermann, P. Pavone, and G. Cuniberti,

    Phys. Rev. B 78, 045410 (2008).

    [3] V. Perebeinos and J. Tersoff, Phys. Rev. B 79,241409(R) (2009).

    [4] N. Vukmirovic, V. M. Stojanovic, and M. Vanevic,

    Phys. Rev. B 81, 041408(R) (2010).

    [5] V. M. Stojanovic, N. Vukmirovic, and C. Bruder,

    Phys. Rev. B 82, 165410 (2010).

    [6] J. Bai et al., Nat. Nanotechnol. 5, 190 (2010).

    CONCLUSIONS & OUTLOOK In graphene antidot lattices, optical phonons play

    an important role; large mass enhancement ob-

    tained is a signature of polaronic behavior.

    Future study of transport in graphene antidot lat-tices should include inelastic degrees of freedom.

    To understand charge transport in a field-effecttransistor geometry [6], one should study the in-

    terplay of Peierls-type coupling and long-range

    coupling at the interface between graphene anti-

    dot lattices and polar substrates such as SiO2.

    MASS ENHANCEMENTThe phonon-induced renormalization is character-

    ized by the quasiparticle weight at the conduction

    band-bottom Zc(k = 0), which we evaluate using

    Rayleigh-Schrodinger perturbation theory.

    8 10 12 14 16 18 203.0

    3.2

    3.4

    3.6

    3.8

    4.0

    4.2

    R = 5

    (a)

    4NNFC VFF

    -1 c

    L

    12 14 16 18 202.6

    2.7

    2.8

    2.9

    3.0

    3.1

    -1 c

    R = 7

    (b)

    L

    4NNFC VFF

    FIG. 6: The inverse quasiparticle weights Z1c (k = 0)

    for the {L,R = 5} [(a)] and {L,R = 7} [(b)]graphene antidot lattices.

    The e-ph mass enhancement in direction = x, y(meffme

    )=

    Z1c (k = 0)

    1 +

    c(k)Rec(k, )

    k=0,=Ec(0)

    .

    is rather large. Its anisotropy is determined by that

    of the bare-band mass rather than by phonon-related

    effects.

    ELECTRON-PHONON COUPLINGDominant mechanism of electron-phonon interac-

    tion in all sp2-bonded carbon-based systems is the

    modulation of -electron hopping integrals due to

    lattice distortions (Peierls-type coupling). Optical

    phonons modulate (elongate or contract) the in-

    plane C-C bond and thus alter the overlap between

    the out-of-plane orbitals. This renders -electron

    hopping integrals dynamically bondlength-dependent

    t(ucc) = t + ucc, as illustrated in Fig. 4.

    FIG. 4: Illustration of Peierls-type coupling.

    In the tight-binding electron basis, the real space

    electron-phonon coupling Hamiltonian reads

    Hep =

    2

    R,m,,

    (aR+dm+aR+dm + H.c.

    )

    [u,R+dm+ u,R+dm

    ] .

    / is the unit vector in the direction of ,u,R+dm is the phonon (branch ) normal coordi-

    nate of an atom at R + dm, and = 5.27 eV/A is

    the coupling constant. In momentum space

    Hep =1N

    k,q,,n

    nn(k,q)an,k+qan,k(b

    q,+ bq,),

    where an,k annihilates an electron with quasimo-

    mentum k in the n-th Bloch band and bq, a phonon

    of branch with quasimomentum q. The function

    nn(k,q) strongly depends on both k and q; for

    electrons at the bottom of the conduction band, it is

    largest for small phonon momenta [see Fig. 5(a)].

    (a) (b)

    (c) (d)

    FIG. 5: The q-dependence of the moduli |cc(k =0,q)| of the electron-phonon vertex functions fora conduction-band electron at k = 0 and high-

    energy phonon branches in the Brillouin zones of

    the {L = 13, R = 5} [(a),(b)] and {L = 15, R =7} [(c),(d)] graphene antidot lattices.

    PHONON SPECTRAThe phonon spectra of the {L,R = 5} and {L,R =7} families of lattices are computed using two mod-els that yield accurate results for graphene itself:

    the fourth-nearest-neighbor force-constant (4NNFC)

    model [2] and the valence force-field (VFF) model [3].

    The highest optical-phonon energy is essentially

    inherited from graphene and only weakly depen-

    dent on L and R; this energy is 195.3 meV in the

    4NNFC approach (197.5 meV in the VFF approach).

    0.00 0.05 0.10 0.15 0.200

    20

    40

    60

    80

    100

    0

    20

    40

    60

    80

    100

    ! (eV)

    4NNFCVFF

    Dph(!

    ) (

    meV

    -1)

    FIG. 3: The phonon density-of-states for the {L =17, R = 5} graphene antidot lattice, obtained usingthe 4NNFC and VFF models.

    ELECTRONIC STRUCTUREWe study band structure of antidot lattices with

    300 1600 atoms per unit cell, using a nearest-neighbor tight-binding model for electrons.

    0.0

    0.1

    0.2

    0.3

    0.4

    0.5

    0.0

    0.1

    0.2

    0.3

    0.4

    0.5K M

    K M

    L=9R=3

    E/t

    FIG. 2: Typical band structure of graphene antidot

    lattices with circular antidots. Because of particle-

    hole symmetry inherent to the model, only bands

    above the Fermi level (E = 0) are displayed.

    Graphene antidot lattices, superlattices of holes (an-

    tidots) in a graphene sheet, display a direct band

    gap whose magnitude can be controlled via the an-

    tidot size and density. For more details, see Ref. 1.

    FIG. 1: (a) Finite segment of a graphene antidot

    lattice; (b) hexagonal unit cell of the antidot lattice

    {L,R} with circular antidots. L and R are dimen-sionless numbers, lengths expressed in units of the

    graphene lattice constant a 2.46 A.

    Vladimir M. Stojanovic1, Nenad Vukmirovic2, and C. Bruder1

    1Department of Physics, University of Basel2Lawrence Berkeley National Laboratory, USA

    POLARONIC SIGNATURES AND SPECTRAL PROPERTIESOF GRAPHENE ANTIDOT LATTICES