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首页> 外文期刊>Thin Solid Films >Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film. A density functional theory - based study
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Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film. A density functional theory - based study

机译:施加表面敏感技术对未缩合SN-SB-TE薄膜的结构和化学研究。 基于密度的功能理论研究

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摘要

We present here a combined experimental and theoretical study of the structural and chemical properties of polycrystalline Sn-Sb-Te film with nominal composition SnSb2Te4 grown by pulsed laser deposition technique on mylar substrate. From the experimental side, surface-sensitive techniques as x-ray photoelectron spectroscopy (XPS), grazing incidence x-ray diffractometry (GIXRD) and Sn-119m integral conversion electron Mopbauer spectroscopy (ICEMS) have been applied to the study of the film at room-temperature and under normal conditions of pressure. GIXRD showed that the Sn-Sb-Te film adopted a NaCl-type structure (Fm-3m), and in the detection limits, no other crystalline phase was revealed. ICEMS technique unambiguously indicated the coexistence of two different tin fractions: Sn(II), as expected for the SnSb2Te4 phase, and Sn(IV), suggesting oxidation of tin. Chemical in-depth profile obtained by means of XPS suggests the oxidation of all the constituent atoms at the topmost layers of the film and the progressive depletion of tin and antimony oxides going depth in the film. The in-depth atomic concentration profiles also reveals a notorious deficiency of Te in the sample. Theoretically, density functional theory-based calculations (assuming that the Sn-Sb-Te film adopts the Fm-3m structure) support the hypothesis that Te - vacancies sites are occupied by oxygen atoms during the natural oxidation process of Sn-Sb-Te film. Additionally, our calculations demonstrated that only the substitution of Te atoms by oxygen ones induces a semiconducting behavior of the otherwise metallic Sn-Sb-Te host.
机译:这里我们在这里介绍了用脉冲激光沉积技术在骨肉基质上产生的多晶Sn-Sb-Te膜的结构和化学性质的组合实验和理论研究。从实验侧,表面敏感技术作为X射线光电子能谱(XPS),放牧入射X射线衍射法(GixRD)和Sn-119M积分转化电子Mopbauer光谱(ICEMS)已应用于薄膜的研究室温和正常压力条件。 GixRD表明,SN-SB-TE薄膜采用NaCl型结构(FM-3M),并且在检测限值中,没有显示其他结晶相。 ICEMS技术明确地表明了两种不同的锡分数:Sn(II)的共存,如SNSB2Te4相的所预期的,所述SN(IV),表明锡的氧化。通过XPS获得的化学深入曲线表明所有组分原子的氧化在膜的最顶层和膜中锡和锑氧化物的逐渐消耗中氧化。深入的原子浓度谱还揭示了样品中TE的臭名昭着的缺乏。从理论上讲,基于密度的基于理论的计算(假设Sn-Sb-Te膜采用FM-3M结构)支持TE - 空位位点在SN-SB-TE膜的天然氧化过程中被氧原子占据的假设。另外,我们的计算表明,只有氧气替换Te原子会引起其他金属Sn-Sb-Te宿主的半导体行为。

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