Dimensionality effects on the Holstein polaron

Article

关键词: ELECTRON-PHONON SYSTEMS;    ENERGY-BAND THEORY;    LATTICE POLARON;    DYNAMICAL PROPERTIES;    INFINITE DIMENSIONS;    PHASE-TRANSITIONS;    GROUND-STATE;    MONTE-CARLO;    MODEL;    BIPOLARONS;   

DOI  :  10.1103/PhysRevB.65.174306

来源: SCIE

【 摘 要 】

Based on a recently developed variational method, we explore the properties of the Holstein polaron on an infinite lattice in D dimensions, where 1less than or equal toDless than or equal to4. The computational method converges as a power law, so that highly accurate results can be achieved with modest resources. We present the most accurate ground state energy (with no small parameter) to date for polaron problems, 21 digits for the one-dimensional (1D) polaron at intermediate coupling. The dimensionality effects on polaron band dispersion, effective mass, and electron-phonon (el-ph) correlation functions are investigated in all coupling regimes. It is found that the crossover to large effective mass of the higher-dimensional polaron is much sharper than the 1D polaron. The correlation length between the electron and phonons decreases significantly as the dimension increases. Our results compare favorably with those of the quantum Monte Carlo, dynamical mean-field theory, density-matrix renormalization-group, and Toyozawa variational methods. We demonstrate that the Toyozawa wave function is qualitatively correct for the ground-state energy and the two-point electron-phonon correlation functions, but fails for the three-point functions. Based on this finding, we propose an improved Toyozawa variational wave function.

【 授权许可】

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