Localization of acoustic polarons at low temperatures: A path-integral Monte Carlo approach

被引:15
|
作者
Fantoni, Riccardo [1 ,2 ]
机构
[1] Univ Stellenbosch, Natl Inst Theoret Phys, ZA-7600 Stellenbosch, South Africa
[2] Univ Stellenbosch, Inst Theoret Phys, ZA-7600 Stellenbosch, South Africa
关键词
STATE; TRANSITION; ELECTRON; ENERGY; HOLES;
D O I
10.1103/PhysRevB.86.144304
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We calculate the low-temperature properties of an acoustic polaron in three dimensions in thermal equilibrium at a given temperature using a specialized path-integral Monte Carlo method. In particular we find numerical evidence that the chosen Hamiltonian for the acoustic polaron describes a phase transition from a localized state to an unlocalized state for the electron as the phonon-electron coupling constant decreases. The phase transition manifests itself with a jump discontinuity in the potential energy as a function of the coupling constant. In the weak coupling regime the electron is in an extended state whereas in the strong coupling regime it is found in a self-trapped state.
引用
收藏
页数:5
相关论文
共 50 条
  • [1] Path-integral approach to lattice polarons
    Kornilovitch, P. E.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (25)
  • [2] Thermal dissociation of dipositronium: Path-integral Monte Carlo approach
    Kylanpaa, Ilkka
    Rantala, Tapio T.
    [J]. PHYSICAL REVIEW A, 2009, 80 (02):
  • [3] Hydrogen molecule ion: Path-integral monte carlo approach
    Leino, Kylanpaa M.
    Rantala, T. T.
    [J]. PHYSICAL REVIEW A, 2007, 76 (05):
  • [4] PATH-INTEGRAL MONTE-CARLO SIMULATIONS OF ELECTRON LOCALIZATION IN WATER CLUSTERS
    THIRUMALAI, D
    WALLQVIST, A
    BERNE, BJ
    [J]. JOURNAL OF STATISTICAL PHYSICS, 1986, 43 (5-6) : 973 - 984
  • [5] Path-integral Monte Carlo study of amorphous silicon
    Herrero, CP
    [J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 2000, 271 (1-2) : 18 - 28
  • [6] Path-integral Monte Carlo simulations of a supercritical fluid
    Lacks, DJ
    [J]. PHYSICAL REVIEW B, 1997, 56 (21): : 13927 - 13931
  • [7] Path-integral quantum Monte Carlo calculations of light nuclei
    Chen, Rong
    Schmidt, Kevin E.
    [J]. PHYSICAL REVIEW C, 2022, 106 (04)
  • [8] Path-integral Monte Carlo method for Renyi entanglement entropies
    Herdman, C. M.
    Inglis, Stephen
    Roy, P. -N.
    Melko, R. G.
    Del Maestro, A.
    [J]. PHYSICAL REVIEW E, 2014, 90 (01):
  • [9] Optimal energy estimation in path-integral Monte Carlo simulations
    Janke, W
    Sauer, T
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (15): : 5821 - 5839
  • [10] Path-integral Monte Carlo simulation of helium at negative pressures
    Bauer, GH
    Ceperley, DM
    Goldenfeld, N
    [J]. PHYSICAL REVIEW B, 2000, 61 (13) : 9055 - 9060