发表机构
Institute of Physics of the Czech Academy of Sciences; IT4Innovations, VSB - Technical University of Ostrava; Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University（捷克科学院物理研究所; 俄斯特拉发理工大学IT4创新中心; 查理大学数学与物理学院凝聚态物理系）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本研究通过实验与第一性原理计算，系统探究了沉积参数对CrN薄膜结构、电学和光学性质的影响，发现缺陷工程可有效调控其导电类型和光学响应。
AI 中文摘要
通过射频磁控溅射法，在Ar-N$_2$反应气氛中，于400 $^o$C至800 $^o$C的温度范围内，在熔融石英和MgO (001)衬底上沉积了氮化铬(CrN)薄膜。系统研究了氮含量和衬底温度对结构、电学和光学性质的影响。过化学计量比的CrN薄膜表现出低于6 m$\Omega \cdot$cm的电阻率降低，并具有稳定的p型行为，而将衬底温度升高至600 $^o$C以上则诱导了向n型导电性的转变。紫外-可见-近红外及红外光谱范围内的光谱椭偏测量显示，介电函数和吸收边对薄膜化学计量比和沉积条件有强烈依赖。使用X射线衍射和原子力显微镜进行的结构表征证实了衬底依赖的结晶性和晶粒生长。密度泛函理论计算表明，阳离子和阴离子空位强烈改变电子结构和光学响应，从而解释了实验观察到的导电性转变。结果表明，沉积参数为通过缺陷工程调控CrN薄膜提供了一种有效手段。
英文摘要
Thin chromium nitride (CrN) films were deposited by RF magnetron sputtering in a reactive atmosphere of Ar-N$_2$ on fused silica and MgO (001) substrates at temperatures between 400 $^o$C and 800 $^o$C. The influence of nitrogen content and substrate temperature on structural, electrical, and optical properties was systematically investigated. The overstoichiometric CrN films exhibited a reduced resistivity below 6 m$Ω\cdot$cm with stable p-type behavior, while increasing the substrate temperature above 600 $^o$C induced a transition to n-type conductivity. Spectroscopic ellipsometry in the UV-Vis-NIR and infrared spectral ranges revealed a strong dependence of the dielectric function and the absorption edge on film stoichiometry and deposition conditions. Structural characterization using X-ray diffraction and atomic force microscopy confirmed substrate-dependent crystallinity and grain growth. Density functional theory calculations showed that cation and anion vacancies strongly modify the electronic structure and optical response, explaining the experimentally observed conductivity transitions. The results demonstrate that the deposition parameters provide an effective means to tailor CrN thin films via defect engineering.
Comments12 pages, 14 figures
