X-ray Diffraction Data for 3C-SiC/Si Heterostructures with and without Porous Silicon Buffer Layer

This dataset contains X-ray diffraction (XRD) data acquired for cubic silicon carbide (3C-SiC) thin films heteroepitaxially grown on silicon substrates, with and without an intermediate porous silicon (por-Si) buffer layer. The data were collected to characterize the crystal structure, peak broadening, and residual lattice strain in 3C-SiC/Si heterostructures and to enable a comparative assessment of stress relaxation induced by a compliant porous silicon interlayer. Two sample series are included: S-ref — 3C-SiC films grown directly on monocrystalline silicon substrates without a buffer layer; S-buf — 3C-SiC films grown on silicon substrates incorporating a porous silicon buffer layer. The dataset includes raw diffraction patterns, processed peak data, and tabulated peak parameters used for quantitative structural analysis. Particular attention is given to the (111) and (220) reflections of 3C-SiC, which are sensitive to residual biaxial stress and crystalline quality. The data support reproducibility of XRD-based structural analysis and may be reused for comparative studies of stress mitigation strategies in semiconductor heterostructures. Methods X-ray diffraction measurements were performed at room temperature using a laboratory powder diffractometer operated in θ–2θ geometry. All samples were measured under identical instrumental conditions to ensure direct comparability between buffered and buffer-free heterostructures. Diffraction patterns were collected over an angular range sufficient to resolve the characteristic reflections of cubic silicon carbide and the silicon substrate. Instrumental broadening was evaluated using a crystalline standard and taken into account during peak analysis. Data processing included background subtraction, peak fitting, and determination of peak positions and full widths at half maximum (FWHM). The extracted parameters were used to assess relative changes in lattice spacing, peak broadening, and microstructural quality between the two sample series. Where applicable, the data were further employed for size–strain analysis using established line-broadening approaches. Detailed growth conditions, full instrumental settings, and extended modeling procedures are intentionally not disclosed at this stage and may be provided in future versions of the dataset upon completion of the associated research project. Content of the dataset The dataset includes: Raw XRD diffraction patterns as acquired from the diffractometer; Processed diffraction data after background correction and peak fitting; Tabulated peak parameters (2θ position, FWHM, interplanar spacing) in open formats; Sample identification table linking diffraction data to sample series (S-ref, S-buf); Derived structural parameters used for comparative analysis of buffered and unbuffered heterostructures.本数据集收录了在硅衬底上异质外延生长的立方碳化硅（cubic silicon carbide, 3C-SiC）薄膜的X射线衍射（X-ray diffraction, XRD）数据，样品分为两类：一类带有中间多孔硅（porous silicon, por-Si）缓冲层，另一类未设置该缓冲层。 本数据采集的核心目标为表征3C-SiC/Si异质结构的晶体结构、峰宽化与残余晶格应变，并用于对比评估由柔性多孔硅中间层诱导的应力松弛效应。 数据集包含两组样品系列： S-ref：直接生长在单晶硅衬底上、未使用缓冲层的3C-SiC薄膜； S-buf：生长在带有多孔硅缓冲层的硅衬底上的3C-SiC薄膜。 数据集包含原始衍射图谱、处理后的峰数据以及用于定量结构分析的制表峰参数。本数据集特别关注3C-SiC的(111)与(220)晶面衍射峰，这类衍射峰对残余双轴应力与晶体质量具有较高敏感性。 该数据集可为基于XRD的结构分析提供可重复性验证支撑，也可复用用于半导体异质结构应力缓解策略的对比研究。 实验方法 X射线衍射测量在室温下开展，采用实验室粉末衍射仪，以θ–2θ几何构型运行。所有样品均在完全一致的仪器条件下完成测试，以确保带缓冲层与无缓冲层异质结构的测试结果可直接对比。 衍射数据的采集覆盖足够宽的角范围，以分辨立方碳化硅与硅衬底的特征衍射峰。通过晶体标样评估仪器展宽效应，并在峰分析过程中予以校正。 数据处理流程包括本底扣除、峰拟合、峰位与半高宽（full width at half maximum, FWHM）的测定。提取的参数被用于评估两组样品系列间的晶格间距相对变化、峰宽化程度与微观结构质量差异。在适用场景下，还通过成熟的线宽化分析方法开展尺寸-应变分析。 需说明的是，详细的生长条件、完整的仪器参数与扩展的建模流程暂未公开，待相关研究项目完成后，将在数据集的后续版本中提供。 数据集内容 本数据集包含以下内容： 1. 从衍射仪直接采集的原始XRD衍射图谱； 2. 经本底校正与峰拟合处理后的衍射数据； 3. 以开放格式存储的制表峰参数（包括2θ位置、半高宽与晶面间距）； 4. 关联衍射数据与样品系列（S-ref、S-buf）的样品标识表； 5. 用于带缓冲层与无缓冲层异质结构对比分析的衍生结构参数。