Mobile Bipolaron

Bonča, J.; Katrašnik, Tomaž; Trugman, S. A.

doi:10.1103/physrevlett.84.3153

Cited by 105 publications

(175 citation statements)

References 26 publications

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“…In this case we devote equal attention to the Holstein and Jahn-Teller models since dynamical properties of the Holstein model calculated using an infinite-lattice variational space have not been published elsewhere. We use a recently developed numerical technique [13,27] to study the JTM for the case of one and two electrons on the 1D infinite lattice. Our main goal is to find the numerically exact solution of the JTM in the thermodynamic limit.…”

Section: Introductionmentioning

confidence: 99%

Numerical study of theE⊗eJahn-Teller polaron and bipolaron

Shawish¹,

Bonča²,

Ku³

et al. 2003

Phys. Rev. B

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The properties of the polaron and bipolaron are explored in the 1D Jahn-Teller model with dynamical quantum phonons. The ground-state properties of the polaron and bipolaron are computed using a recently developed variational method. Dynamical properties of the ground state of a polaron are investigated by calculating the optical conductivity σ(ω). Our numerical results suggest that the Jahn-Teller and Holstein polarons are similar. However, in the strong-coupling regime qualitative differences in σ(ω) between the two models are found and discussed. The influence of the electronphonon coupling and the electrostatic repulsion on the bipolaron binding energy, bipolaron masses, and correlation functions is investigated.

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Section: Introductionmentioning

confidence: 99%

Numerical study of theE⊗eJahn-Teller polaron and bipolaron

Shawish¹,

Bonča²,

Ku³

et al. 2003

Phys. Rev. B

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“…Furthermore it should be noted that the corresponding Holstein-Hubbard model leads to an isotropic Heisenberg term. This was also discussed for the bipolaron problem [1,2]. As an application we have discussed the spectral properties for stretched and triangular molecular configurations of three atoms.…”

Section: Discussionmentioning

confidence: 99%

“…It is argued in [2] that in the strong coupling regime the main source of bipolaron formation is the non-exponential off-diagonal matrix element in second order related to the exchange of neighboring electrons. In the E ⊗ β case we found exponential decay for this exchange in the situation of different orbital occupancy.…”

Section: Discussionmentioning

confidence: 99%

Electron‐phonon interaction in correlated electronic systems: polarons and the formation of orbital ordering

Schneider¹,

Höck²,

Ziegler³

2004

phys. stat. sol. (c)

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The properties of a dilute electron gas, coupled to the lattice degrees of freedom, are studied and compared with the properties of an electron gas at half-filling, where spinless fermions with two orbitals per lattice site are considered. The simplest model which includes both the local electron-lattice interaction of the Jahn-Teller type and the electronic correlations is the E ⊗ β-Jahn-Teller-Hubbard model. We analyze the formation and stability of Jahn-Teller polarons and bipolarons, respectively. Our approach is based on a hopping expansion in the strong-coupling regime. The results are compared with recently published findings for the Hubbard-Holstein model [1,2]. The special case of the Jahn-Teller-Hubbard model at half-filling is mapped on a spin-1/2 Heisenberg model with phonon-dependent coupling constants. This has been derived within a projection formalism that provides a continued-fraction representation of the Green's function. We study the exact solution for two and three particles and compare it with the effective theory on the infinite lattice with one particle per site. The ModelThe Hamiltonian for fermions with spin σ and pseudospin γ = θ, ǫ, coupled to phonons, is given by H = H t + H 0 , where H t is a nearest neighbor tunneling term for the fermionsand H 0 is local, containing a (Hubbard) interaction and a term for dispersionless phonons of energy ω 0 with H 0 = j H 0j andwhere the plus (minus) sign refers to Holstein (E ⊗ β Jahn-Teller) electron-phonon coupling [3]. H 0j is diagonalized by a Lang-Firsov transformation [4] and has energiesif there are n j (≥ 0) phonons and n jγσ (= 0, 1) electrons with (pseudo)spin σ (γ) at site j. Each electron has an energy gain E p = g 2 /ω 0 . The regime U < 2E p has an attractive interaction, leading to an on-site bipolaron.

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“…The lattice bipolaron, mostly with Holstein interaction, has been studied by a variety of other numerical methods: exact diagonalization [50,118], variational [57,58,60], density matrix renormalization group [66], diagrammatic quantum Monte Carlo [44], and Lang-Firsov quantum Monte Carlo [47,119].…”

Section: Bipolaronmentioning

confidence: 99%

“…There exist several other QMC techniques, in particular the path-integral QMC without phonon integration [40,41], Fourier QMC [21,22], diagrammatic QMC [7,8,42,43,44,45] and Lang-Firsov QMC [46,47,48]. Non-QMC classes of methods include exact diagonalization [49,50,51,52,53,54], variational calculations [13,55,56,57,58,59,60,61,62,63] and the density-matrix renormalization group [64,65,66]. Despite proliferation of methods, most of them have been applied to the two major polaron models: the ionic crystal model of Fröhlich [5] and molecular crystal model of Holstein [67].…”

Section: Introductionmentioning

confidence: 99%

Path Integrals in the Physics of Lattice Polarons

Kornilovitch

2007

Polarons in Advanced Materials

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Summary.A path-integral approach to lattice polarons is developed. The method is based on exact analytical elimination of phonons and subsequent Monte Carlo simulation of self-interacting fermions. The analytical basis of the method is presented with emphasis on visualization of polaron effects, which path integrals provide. Numerical results on the polaron energy, mass, spectrum and density of states are given for short-range and long-range electron-phonon interactions. It is shown that certain long-range interactions significantly reduce the polaron mass, and anisotropic interactions enhance polaron anisotropy. The isotope effect on the polaron mass and spectrum is discussed. A path-integral approach to the Jahn-Teller polaron is developed. Extensions of the method to lattice bipolarons and to more complex polaron models are outlined.

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Mobile Bipolaron

Cited by 105 publications

References 26 publications

Numerical study of theE⊗eJahn-Teller polaron and bipolaron

Numerical study of theE⊗eJahn-Teller polaron and bipolaron

Electron‐phonon interaction in correlated electronic systems: polarons and the formation of orbital ordering

Path Integrals in the Physics of Lattice Polarons

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