Thermodynamic stability analysis of Bi-containing III-V quaternary alloys and the effect of epitaxial strain
Thermodynamic stability analysis of Bi-containing III-V quaternary alloys and the effect of epitaxial strain
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含Bi III-V 四元合金的热力学稳定性分析及外延应变的影响
DOI：
10.1016/j.jpcs.2019.109245
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发表时间：
2020
影响因子：
4
通讯作者：
T. Kuech
中科院分区：
文献类型：
--
作者：
Y. Guan;G. Luo;D. Morgan;S. Babcock;T. Kuech
含Bi的III-V族四元合金的热力学稳定性使用δ晶格参数（DLP）模型结合密度泛函理论（DFT）计算来确定。DLP模型和DFT计算的混合焓显示出非常好的协议为In 1-yGayAs 1-xBix和GaAs 1-x-yBixPy系统。已针对这些系统以及In 1-yGayP 1-xBix、In 1-yGaySb 1-xBix、GaAs 1-x-yBixSby、InAs 1-x-yBixPy和InAs 1-x-yBixSby的非应变和赝晶应变状态构建了双节线和旋节线等温线作为晶格参数的函数。通过在晶格参数为0.565 ~ 0.6058 nm的衬底上外延生长合金，可以提高Bi的溶解度。具有较小原子尺寸的阴离子元素的掺入也增加了Bi低浓度范围中的Bi溶解度。本工作阐明了热力学稳定性的含Bi四元合金的阳离子，阴离子和应变状态的选择依赖。它还将DLP模型扩展到更宽的组成范围。
The thermodynamic stability of Bi-containing III-V quaternary alloys was determined using the delta lattice parameter (DLP) model in conjunction with density functional theory (DFT) calculations. The DLP model and DFT-calculated enthalpy of mixing show remarkably good agreement for the In1-yGayAs1-xBixand GaAs1-x-yBixPysystems. Binodal and spinodal isotherm contours have been constructed for these systems, as well as In1-yGayP1-xBix, In1-yGaySb1-xBix, GaAs1-x-yBixSby, InAs1-x-yBixPyand InAs1-x-yBixSby,for their unstrained and pseudomorphically strained states as a function of lattice parameter. Enhanced Bi solubility can be achieved by epitaxial growth of alloys on substrates with lattice parameters from 0.565 to 0.6058 nm. The incorporation of an anion element with a smaller atomic size also increases the Bi solubility in the Bi low concentration regime. This work elucidates the thermodynamic stability dependence for Bi-containing quaternary alloys on choice of cation, anion and strain state. It also extends the DLP model to a wider composition range.
影响因子：
1.9
作者：
P. Ludewig;L. Nattermann;W. Stolz;K. Volz
通讯作者：
P. Ludewig;L. Nattermann;W. Stolz;K. Volz
使用 MOVPE 利用应变增强 GaAs 基 III/V 半导体中 Bi 的掺入
影响因子：
1.8
作者：
L. Nattermann;P. Ludewig;E. Sterzer;K. Volz
通讯作者：
K. Volz