组分无序对Ga2O3/(Al x Ga1-x )2O3核/壳量子盘中界面类氢杂质光电离截面的影响

doi:10.16553/j.cnki.issn1000-985x.2025.0213

摘要/Abstract

摘要： 本文提出了一种新型核/壳量子盘结构，其核层和壳层由第四代超宽带隙半导体Ga₂O₃和（Al _x Ga_1-_x ）₂O₃组成，通过结合有限差分法与变分法，研究该核/壳量子盘结构中杂质基态与非束缚态之间，以及不同杂质束缚态之间的光学子带间跃迁及其对应的光电离截面。采用数值计算，首次考虑了Al组分无序的相关影响。结果表明，组分无序效应对杂质基态向非束缚态跃迁对应的光电离截面影响可忽略不计。相比之下，组分无序引起的随机势涨落，使不同杂质束缚态之间的跃迁光电离截面在共振峰处表现出显著变化。这些发现可为进一步探索基于超宽带隙材料的光子学和光电设备的应用提供理论指导。

关键词: Ga₂O₃; 核/壳量子盘; 组分无序; 光电离截面; 结合能; 波函数

Abstract: In this paper，a novel core/shell quantum disk structure consisting of the fourth ultrawide band gap semiconductors Ga₂O₃ as core layer and （Al _x Ga_1-_x ）₂O₃ as shell layer were presented. The optical intersubband transitions and corresponding photoionization cross sections between the impurity ground state and unbound state，as well as between different impurity bound states in core/shell quantum disk structure were studied by the finite-difference algorithm combined with the variational approach. The influence from the aluminum compositional disorder was taken into account in the numerical simulation for the first time. The results indicate that the compositional disorder effect has negligible impact on the photoionization cross section corresponding the transition from the impurity ground state to the unbound state. In contrast，the photoionization cross sections of transitions between different impurity-bound states exhibit notable change in resonance peaks due to the random potential fluctuation induced by compositional disorder. These findings can provide theoretical guidelines for further exploration of photonic and optoelectronic devices based on ultrawide bandgap materials.

Key words: Ga₂O₃; core/shell quantum disk; compositional disorder; photoionization cross section; binding energy; wave function

中图分类号:

杨昊, 哈斯花, 朱俊. 组分无序对Ga₂O₃/(Al _x Ga_1-_x )₂O₃核/壳量子盘中界面类氢杂质光电离截面的影响[J]. 人工晶体学报, 2026, 55(2): 223-232.

YANG Hao, HA Sihua, ZHU Jun. Effect of Compositional Disorder on Photoionization Cross Section of Interfacial Hydrogenic Impurity in Ga₂O₃/(Al _x Ga_1-_x )₂O₃ Core/Shell Quantum Disk[J]. Journal of Synthetic Crystals, 2026, 55(2): 223-232.

图/表 8

图1 圆柱坐标系中Ga2O3/（Al x Ga1-x ）2O3核/壳量子盘的示意图，其中（ρ0，θ0，z0）处的“+”表示类氢杂质。（a）核/壳量子盘结构中（ρ，θ）平面的截面视图；（b）核/壳量子盘结构中（ρ，z）平面的截面视图

Fig.1 Schematic diagram of Ga2O3/（Al x Ga1-x ）2O3 core/shell quantum disk in cylindrical coordinate system with “+” at （ρ0，θ0，z0） representing hydrogenic-like impurity. （a） Cross-section view of （ρ，θ） plane in core/shell quantum disk structure；（b） cross-section view of （ρ，z） plane in core/shell quantum disk structure

表 1 计算中使用的材料参数

Table 1 Material parameters used in calculation

Material parameter	Ga₂O₃	（Al _x Ga_1-_x ）₂O₃
Effective mass，m^*［47］	0.28	0.28+0.11x
Band gap，E_g/eV^［35］	4.69	7.03x+4.69（1-x）
Dielectric constant， $ε r$ （ɛ₀）^［48］	10	10

表 1 计算中使用的材料参数

Table 1 Material parameters used in calculation

Material parameter	Ga₂O₃	（Al _x Ga_1-_x ）₂O₃
Effective mass，m^*［47］	0.28	0.28+0.11x
Band gap，E_g/eV^［35］	4.69	7.03x+4.69（1-x）
Dielectric constant， $ε r$ （ɛ₀）^［48］	10	10

图2 核/壳量子盘结构中厚度为12 nm壳层（Al x Ga1-x ）2O3材料的xR值

Fig.2 xR value of （Al x Ga1-x ）2O3 material with shell thickness of 12 nm in core/shell quantum disk structure

图3 核/壳量子盘结构中的随机势

Fig.3 Random potential in core/shell quantum disk structure

图4 在随机势P1、P2和P3下视图Ⅰ（0 nm<ρ<10 nm）中Ga2O3/（Al x Ga1-x ）2O3核/壳量子盘中界面杂质态的概率密度分布。（a）~（c）基态Φ00的概率密度；（d）~（f）激发态Φ10的概率密度

Fig.4 Probability density distribution of interfacial impurity states in Ga2O3/（Al x Ga1-x ）2O3 core/shell quantum disk in view Ⅰ （0 nm<ρ<10 nm） under random potentials P1，P2，and P3. （a）~（c） Probability density of ground state Φ00；（d）~（f） probability density of excited state Φ10

图5 在随机势P1、P2和P3视图Ⅱ（0 nm<ρ<10 nm）中Ga2O3/（Al x Ga1-x ）2O3核/壳量子盘中界面杂质态的概率密度分布。（a）~（c）基态Ψ00的概率密度；（d）~（f）激发态Ψ01的概率密度；（g）~（i）激发态Ψ10的概率密度；（j）~（l）激发态Ψ11的概率密度

Fig.5 Probability density distribution of interfacial impurity states in Ga2O3/（Al x Ga1-x ）2O3 core/shell quantum disk in view Ⅱ （0 nm<ρ<10 nm） under random potentials P1，P2，and P3. （a）~（c） Probability density of ground state Ψ00；（d）~（f） probability density of excited state Ψ01；（g）~（i） probability density of excited state Ψ10；（j）~（l） probability density of excited state Ψ11

图6 Ga2O3/（Al x Ga1-x ）2O3核/壳量子盘中界面杂质结合能ED与Rc的关系

Fig.6 Relationship between interfacial impurity binding energy ED and Rc in Ga2O3/（Al x Ga1-x ）2O3 core/shell quantum disk

图7 在随机势P1、P2和P3的作用下，Ga2O3/（Al x Ga1-x ）2O3核/壳量子盘中界面杂质的光电离截面与归一化光子能量的关系

Fig.7 Relationship between photoionization cross section of interfacial impurity and normalized photon energy in Ga2O3/（Al x Ga1-x ）2O3 core/shell quantum disks under action of random potentials P1，P2，and P3

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组分无序对Ga₂O₃/(Al _x Ga_1-_x )₂O₃核/壳量子盘中界面类氢杂质光电离截面的影响

Effect of Compositional Disorder on Photoionization Cross Section of Interfacial Hydrogenic Impurity in Ga₂O₃/(Al _x Ga_1-_x )₂O₃ Core/Shell Quantum Disk

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