Trapping of three-dimensional Holstein polarons by various impurities

Hadi Ebrahimnejad; Mona Berciu

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Trapping of three-dimensional Holstein polarons by various impurities

机译：各种杂质俘获三维荷斯坦极化子

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We study the bound states of a three-dimensional Holstein polaron near various kinds of single impurities, using the momentum-average approximation. We show that the electron-phonon coupling is responsible for a strong renormalization of the impurity potential, resulting in an effective potential with significant retardation effects, which describes essential physics ignored by "instantaneous" approximations. The accuracy of our approximation is gauged by comparison with results from diagrammatic Monte Carlo for the case of an impurity that modifies the on-site energy of the electron. We also discuss impurities that modify the local strength of the electron-phonon coupling as well as isotope substitutions that change both the electron-phonon coupling and the phonon frequency, and contrast and highlight the difference between these cases.

机译：我们使用动量平均近似研究了三维霍尔斯坦极化子在各种单一杂质附近的束缚态。我们表明，电子-声子耦合是导致杂质电势强烈归一化的原因，导致有效电势具有显着的延迟效应，这描述了被“瞬时”近似忽略的基本物理原理。通过与图解蒙特卡罗方法得出的结果进行比较，可以得出近似值的精确度，该结果是杂质会改变电子的现场能量。我们还将讨论杂质，这些杂质会改变电子-声子耦合的局部强度，以及同位素替代物，从而改变电子-声子耦合和声子频率，并对比并突出显示这两种情况之间的差异。

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《Physical review》 |2012年第16期|p.165117.1-165117.11|共11页
作者
Hadi Ebrahimnejad; Mona Berciu;
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作者单位

Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, Canada, V6T 1Z1;

Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, Canada, V6T 1Z1,Quantum Matter Institute, University of British Columbia, Vancouver, BC, Canada, V6T IZ4;

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polarons and electron-phonon interactions; theories and models; localized states; scattering by phonons, magnons, and other nonlocalized excitations;

机译：极化子和电子-声子相互作用;理论和模型;局部状态;声子;磁振子和其他非局部激发的散射;

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1. Polaron effective mass, band distortion, and self-trapping in the Holstein molecular-crystal model [J] . Romero AH., Lindenberg K., Brown DW. Physical Review, B. Condensed Matter . 1999,第21期

机译：荷斯坦分子晶体模型中的极化子有效质量，能带畸变和自陷
2. Trapping of lattice polarons by impurities [J] . J. P. Hague, P. E. Kornilovitch, A. S. Alexandrov Physical review . 2008,第9期

机译：杂质俘获晶格极化子
3. The Effective Mass of Impurity-bound Polaron in a Two- and Three-Dimensional Quantum Dot [J] . Shi-Hua Chen Journal of Low Temperature Physics . 2013,第1a2期

机译：二维和三维量子点中与杂质结合的极化子的有效质量
4. Electron Traps in Rutile TiO_2 Crystals: Intrinsic Small Polarons, Impurities, and Oxygen Vacancies [C] . Larry E. Halliburton Materials Research Society Meeting . 2014

机译：金红石TiO_2晶体中的电子陷阱：内在的小极化子，杂质和氧空位
5. Statics and dynamics of the Holstein and Jahn-Teller polarons. [D] . Ku, Li-Chung. 2003

机译：Holstein和Jahn-Teller极化子的静力学和动力学。
6. Renormalization group approach to the Fröhlich polaron model: application to impurity-BEC problem [O] . F. Grusdt, Y. E. Shchadilova, A. N. Rubtsov, -1

机译：Fröhlich极化子模型的重归一化组方法：在杂质-BEC问题中的应用
7. Trapping of three-dimensional Holstein polarons by various impurities [O] . Ebrahimnejad, Hadi, Berciu, Mona 2012

机译：用各种杂质捕获三维荷斯坦极化子
8. Energy Trapping, Release, and Transport in Three-Dimensional Energetic Solids and Molecular Crystals: Theory of Defects and Impurities [R] . Kunz, A. B. 1984

机译：三维含能固体和分子晶体中的能量捕获，释放和传输：缺陷和杂质的理论

Trapping of three-dimensional Holstein polarons by various impurities

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