论文标题
铁电的振动指纹
Vibrational fingerprints of ferroelectric hafnia
论文作者
论文摘要
Hafnia（HFO2）是新兴芯片应用的有前途的材料，因为其高K介电行为，对负电容异质结构的适用性，可扩展的铁电性和硅兼容性。晶格动力学以及诸如热导率，收缩和热容量之类的语音特性的探索不足，主要是由于缺乏高质量的单晶。在此，我们报告了用Yttrium稳定的一系列HFO2晶体的振动特性（化学公式HFO2：XY，其中X = 20、12、11、8和0％），并将我们的发现与对称分析和乳光动力学计算进行比较。我们通过测试我们的计算对测量的拉曼和红外光谱的效果解开Y的效果，抗多极矫正相位和单斜相相，然后继续揭示极性原骨hafnia的签名模式。这项工作为HFO2的几个不同阶段提供了光谱指纹，并为分析芯片技术的高K介电和铁电特性的模式贡献铺平了道路。
Hafnia (HfO2) is a promising material for emerging chip applications due to its high-k dielectric behaviour, suitability for negative capacitance heterostructures, scalable ferroelectricity, and silicon compatibility. The lattice dynamics along with phononic properties such as thermal conductivity, contraction, and heat capacity are under-explored, primarily due to the absence of high quality single crystals. Herein, we report the vibrational properties of a series of HfO2 crystals stabilized with yttrium (chemical formula HfO2:xY, where x = 20, 12, 11, 8, and 0%) and compare our findings with a symmetry analysis and lattice dynamics calculations. We untangle the effects of Y by testing our calculations against the measured Raman and infrared spectra of the cubic, antipolar orthorhombic, and monoclinic phases and then proceed to reveal the signature modes of polar orthorhombic hafnia. This work provides a spectroscopic fingerprint for several different phases of HfO2 and paves the way for an analysis of mode contributions to high-k dielectric and ferroelectric properties for chip technologies.
