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Analysis of Electronic Structure of High-k Films by Using STEM-EELS

机译:用茎鳗分析高k薄膜的电子结构

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Electron energy-loss spectroscopy in a scanning transmission electron microscope (STEM-EELS) and ab initio electronic structure calculations were used to analyze how the chemical composition of a Hf{sub}xSi{sub}(1-x)O{sub}2 film affects the electronic structure near the bandgap. We first show that the bandgap of Hf-rich Hf{sub}xSi{sub}(1-x)O{sub}2 (x ≥ 0.5) is identical to that of HfO{sub}2 because the energy gap between O 2p and Hf 5d states determines their bandgaps, and because Si-derived states barely affect the energy gap between O 2p and Hf 5d states in Hf{sub}xSi{sub}(1-x)O{sub}2. Second, we show that incorporation of N into a Hf{sub}xSi{sub}(1-x)O{sub}2 film changes the valence band structure and reduces the bandgap. Finally, we show that these results can explain the previously reported chemical composition dependency of the dielectric constant of Hf{sub}xSi{sub}(1-x)O{sub}2 and the N concentration dependency of the dielectric constant of N-incorporated Hf{sub}xSi{sub}(1-x)O{sub}2.
机译:在扫描透射电子显微镜(STEM-EELS)和从头电子结构计算电子能量损失光谱法被用来分析如何铪{子}的xsi {子}(1-X)O {子}的化学组成2膜会影响附近的带隙的电子结构。首先证明的带隙的Hf-富含HF {子}的xsi {子}(1-X)O {子} 2(X≥0.5)是相同的的HfO {子}的2因为ø2P之间的能隙和Hf图5d的状态决定了它们的带隙,且由于硅衍生的状态几乎没有影响,在Hf {子}的xsi {子}ö2P和Hf 5d中状态之间的能隙(1-X)O {子} 2。第二,我们表明N个该掺入的Hf {子}的xsi {子}(1-X)O {子} 2膜改变价带结构,并降低了带隙。最后,我们显示,这些结果可以解释的介电常数的先前报告的化学组成依赖性的Hf {子}的xsi {子}(1-X)O {子} 2和N-的介电常数的N浓度的依赖性PJ内置铪{子}的xsi {子}(1-X)O {子} 2。

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