Particularities of polaron formation in the extended Holstein model with next nearest neighbor transfer (2311.12677v2)

Abstract: Employing a largely unbiased variational exact diagonalization technique, we analyze the consequences of longer-ranged electron hopping and electron-phonon interaction on polaron formation in one dimension. Having at our disposal the accurate ground state energy and wavefunction, we calculate and discuss various physical quantities, such as the renormalized band structure, effective mass, wave-function renormalization factor, phonon dressing and Drude weight, characterizing the properties of the polaronic quasiparticle. We demonstrate that the electron-phonon coupling affects the relative strength of the nearest-neigbor (NN) and next-nearest-neigbor (NNN) hopping processes in a dynamic way. Most notably we observe that the minimum of the polaron band, occurring at a finite momentum for large negative ratio between NN and NNN transfer, jumps to zero momentum as the electron-phonon coupling exceeds a critical one, thereby causing a rather sharp polaron transition in the one-dimensional extended Holstein model. The signatures of this transition are seen in the effective mass and polaron mobility, and therefore should be easily detectable by transport measurements.