四角晶相HfO2(001)表面原子和电子结构研究

采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO₂)体相及 其(001)表面的原子几何与电子结构.理论计算结果表明，t-HfO₂(001)表面不会 产生重构现象.与体相电子结构相比, t-HfO₂(001)表面态密度明显高于体相态 密度.其次，表面原子的态密度更靠近费米能级(E_F)，价带往低能量处移动，并 有表面态产生.计算结果表明了t-HfO₂表面禁带宽度明显低于体相的禁带宽度. t-HfO₂(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位 数减少，表面原子周围的环境发生变化而引起的. 关键词： 密度泛函理论 2(001)')" href="#">t-HfO₂(001) 表面电子结构     

铜互连中SiCOF/a-C∶F双层低介电常数薄膜的制备和表征(英文)

用等离子体化学气相淀积系统制备了一种新颖的SiCOF/a-C∶F双层低介电常数介质薄膜,并用红外光谱表征了该薄膜的化学结构.通过测量介质的折射率发现该薄膜长时间暴露在空气中,其光频介电常数几乎不变.然而,随退火温度的增加,其光频介电常数则会减小.基于实验结果讨论了几种可能的机理.二次离子质谱分析表明在Al/a-C∶F/Si结构中F和C很容易扩散到Al中,但在Al/SiCOF/a-C∶F/Si结构中,则没有发现C的扩散,说明SiCOF充当了C扩散的阻挡层.分析还发现在SiCOF和a-C∶F之间没有明显的界面层.     

Electrical Characterization of Metal-Insulator-Metal Capacitors with Atomic-Layer-Deposited HfO2 Dielectrics for Radio Frequency Integrated Circuit Application

Metal-insulator-metal （MIM） capacitors with atomic-layer-deposited HfO2 dielectric and TaN electrodes are investigated for rf integrated circuit applications. For 12nm HfO2, the fabricated capacitor exhibits a high capacitance density of 15.5fF/μm2 at 100kHz, a small leakage current density of 6.4 × 10^-9 A/cm^2 at 1.8V and 125℃, a breakdown electric field of 2.6 MV//cm as well as voltage coefficients of capacitance （VCCs） of 2110ppm/V^2 and -824 ppm/V at 100kHz. Further, it is deduced that the conduction mechanism in the high field range is dominated by the Poole-Frenkel emission, and the conduction mechanism in the low field range is possibly related to trap-assisted tunnelling. Finally, comparison of various HfO2 MIM capacitors is present, suggesting that the present MIM capacitor is a promising candidate for future rf integrated circuit application.     

Band Structures of Metal-Oxide Capped Graphene： A First Principles Study

We perform a first-principles calculation based on density functional theory to investigate the interface between single layer graphene and metal oxides. Our study reveals that the monolayer graphene becomes semiconducting by single crystal SiO2 and Al2O3 contact, with energy gaps to - 0.9 and - 1.8 eV, respectively. We find the gap originates from the breakage of π bond integrity, whose extent is related to the interface atom configuration. We believe that our results highlight a promising direction for the feasibility to apply large scale graphene layers as building blocks in future electronics devices.     

石墨烯基红外探测器的高k栅氧集成

从石墨烯发现与制备出发,综述了室温下双层石墨烯或石墨烯带禁带在0～250 meV可调的特性,及其在中远红外探测器的背栅、顶栅结构中作为栅氧形成材料的应用,并介绍了目前各种先进工艺.     

Pt纳米颗粒辅助化学刻蚀重掺杂p型单晶硅研究

首先在SiO2/Si衬底上磁控溅射了一层超薄Pt薄膜,并通过快速热退火形成了分离的Pt纳米颗粒阵列。接着研究了在氢氟酸和双氧水的混合溶液中Pt纳米颗粒辅助化学刻蚀重掺杂p型单晶硅片的特性。结果表明,当氢氟酸的浓度为1.06 mol/L时,样品表面分布着许多Pt岛链,在硅衬底表面没有观察到任何孔洞;当氢氟酸的浓度上升到5.3 mol/L时,样品表面起伏不平,出现许多大小不一的小丘,岛链状Pt减少;当氢氟酸的浓度增加到26.5 mol/L时,样品表面出现大量的孔洞,Pt岛链进一步减少。通过对样品的剖面结构进行观察,发现硅衬底中形成了致密的介孔,同时还观察到底部含有Pt岛状物的不规则沟槽,并且介孔的生长速率快于沟槽。最后,对上述实验现象的形成机制进行了讨论。     

ANALYSIS OF THE X-RAY PHOTOELECTRON SPECTRA OF a-SiOCF FILMS PREPARED BY PLASMA-ENHANCED CHEMICAL VAPOUR DEPOSITION

The preparation of a-SiOCF films from Si(OC₂H₅)₄, C₄F₈ and/or Ar using the plasma-enhanced chemical vapour deposition method is reported. The chemical bonding structures of the films are analysed by x-ray photoelectron spectroscopy (XPS). In the case of the films deposited from the mixture with and without Ar, the configurations of F-Si-O-Si, Si-OH, Si-O-Si, C-CF and C-F are contained. However, there is also the C-C configuration in the film prepared from the mixture with Ar. Moreover, it is found that the photoelectron peaks of Si 2p, O 1s and F 1s for the film deposited from the feeding gas with Ar show the same shift of about 1eV toward high binding energy in comparison with those for the film prepared from the feeding gas without Ar. No evidence reveals the presence of an Si-C bond in the films.     

低介电常数含氟氧化硅薄膜的红外光谱分析

用等离子体化学气相淀积 (PECVD)制备了含氟氧化硅薄膜 (Si OF薄膜 )。通过傅里叶变换红外光谱 (FTIR)分析 ,研究了氟掺入后薄膜结构的变化 ,并进一步讨论了氟对薄膜介电常数及吸水性的影响。研究表明氟掺入后改变了 Si- O键上的电荷分布 ,降低了薄膜中 Si- O键的极性 ,导致 Si- O键伸缩振动吸收峰发生蓝移。同时氟的掺入抑制了强极性 Si- OH键的形成。这些变化有利于薄膜中离子极化和偶极子转向极化的降低 ,因而使薄膜介电常数减小。对 Si- F吸收峰的高斯拟合表明 ,在氟含量较高时 ,薄膜中掺入的氟一部分会以 Si F2 结构存在。由于 Si F2 结构稳定性较差 ,易与水汽发生作用 ,因而高氟掺杂的 Si OF薄膜易吸水 ,并使薄膜性能变差     

ULSI低介电常数材料制备中的CVD技术

综述了制备ULSI低介电常数材料的各种CVD技术。详细介绍了PCVD技术淀积含氟氧化硅薄膜、含氟无定型碳膜与聚酰亚胺类薄膜的工艺,简要介绍了APCVD技术淀积聚对二甲苯类有机薄膜及RTCVD技术淀积SiOF薄膜的工艺。     

四角晶相HfO2(001)表面原子和电子结构研究

采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO2)体相及其(001)表面的原子几何与电子结构.理论计算结果表明,t-HfO2(001)表面不会产生重构现象.与体相电子结构相比, t-HfO2(001)表面态密度明显高于体相态密度.其次,表面原子的态密度更靠近费米能级(EF),价带往低能量处移动,并有表面态产生.计算结果表明了t-HfO2表面禁带宽度明显低于体相的禁带宽度. t-HfO2(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位数减少,表面原子周围的环境发生变化而引起的.