导带弯曲对有限深GaN/Ga1-xAlxN球形量子点中束缚极化子的影响及其压力效应

采用三角势近似界面导带弯曲,研究了有限高势垒GaN/Ga1-x Al x N球形量子点中束缚极化子的结合能及其压力效应。数值计算了杂质态与声子之间相互作用对结合能的影响,同时与方形势垒进行了比较。结果表明,随着电子面密度的增加,导带弯曲效应增强,束缚极化子结合能逐渐下降。当电子面密度n s=(6.0,8.0)×1011/cm2且量子点半径R>10 nm时,束缚极化子的结合能趋近于一个相同且较小的值。结合能的极化效应主要来自杂质与光学声子相互作用的贡献。     

Variational approaches to quantum impurities: from the Fröhlich polaron to the angulon

ABSTRACT

Problems involving quantum impurities, in which one or a few particles are interacting with a macroscopic environment, represent a pervasive paradigm, spanning across atomic, molecular, and condensed-matter physics. In this paper we introduce new variational approaches to quantum impurities and apply them to the Fröhlich polaron – a quasiparticle formed out of an electron (or other point-like impurity) in a polar medium, and to the angulon – a quasiparticle formed out of a rotating molecule in a bosonic bath. We benchmark these approaches against established theories, evaluating their accuracy as a function of the impurity-bath coupling.     

Niobium Doping in BiVO4: Interplay Between Effective Mass,Stability, and Pressure

We have applied density functional theory to study the electronic structure changes caused by Nb incorporation in BiVO₄ and the application of external pressure. The overall solubility of Nb in BiVO₄ is usually high, and the presence of oxygen vacancies affect the dopability of Nb in BiVO₄. Through the analyses of the chemical-potential landscape, we have determined the single-phase stability zone of BiVO₄ with the Nb doping. The most favorable Nb doping is simultaneous substitutions at both V- and Bi-sites. Even though Nb substitution at only V-site is next favorable, the band gap change is not very significant which agrees with an earlier experiment. However, it does change the electron effective mass by 20 % owing to the presence of Nb 4d bands in the conduction bands, which explains better catalytic activity by Nb-doped BiVO₄. In addition, application of external pressure the single-phase stability zone in the chemical-potential landscape. We have also focused on the local structural distortions near the Nb doping site, especially on the BiO₈ octahedra. We have shown here that pressure-induced symmetrization of BiO₈ dodecahedron lowers the electron's effective mass further and therefore can help to improve the photoconduction property of BiVO₄.     

一种计算声学极化子基态能量简单而有效的方法

采用Huybrechts变分法,推导计算出了声学极化子基态能量.由此找到了计算声学极化子基态能量的一种简单有效的方法.     

Interface phonons and dielectric enhancement effects on excitons in quantum well

The theory of exciton polaron in quantum well is developed. The interaction with symmetric interface phonons is shown to contribute significantly to polaron exciton binding energy. As a result, this energy depends both on effective masses of charge particles in the quantum well and on polarization properties of the barriers. The conditions are found for strong exciton–phonon coupling in quantum well.     

量子阱中极化子的自能与电磁场和温度的关系

采用Ｌａｒｓｅｎ谐振子算符代数运算与变分微扰相结合的方法，研究处于电磁场中量子阱内电子一体纵光学声子耦合诉性质的曙依赖性，得到了有限温度下系统的自能。     

含铂准一维卤素桥接混合价络合物(HMPC’S)中的电子——晶格耦合

本文详细研究了含铂准一维卤素桥接混合价络舍物(HMPCS)中电子——晶格(e—p)耦合的对角部分和非对角部分对极化子结合能的影响,证实了在这类物质中,e—p耦合的对角部分是主要的,与实验事实符合。图2,参10。     

多晶铁电体的脉冲反转

测量了钛酸锶钡(Ba0.99Sr0.01TiO3)陶瓷在不同峰值方波电压作用下的脉冲反转信号.发现陶瓷中由于晶粒小,慢极化的反转速度快,使得慢电流峰值对应的时间几乎不随外加作用变化;而慢电容则随方波峰值电压的增大单调增加.     

极性晶体膜中的束缚极化子

采用格林函数法,讨论了极性晶体膜中电子与LO声子耦合的电子-声子相互作用系统的自能.得出了极化子自能及束缚势随膜厚变化的规律.对KCl材料进行数值计算的结果表明,束缚势影响自陷能的变化.     

形变势表面极化子的重正化质量

本文采用改进了的线性组合算符法导出了极性半导体中与形变势相互作用的表面极化子的有效哈密顿量。讨论了极性半导体中表面极化子重正化质量的性质。