Vacancy segregation in the initial oxidation stages of the TiN(100) surface

Zimmermann, Janina; Finnis, Michael W.; Ciacchi, Lucio Colombi

doi:10.1063/1.3105992

Cited by 43 publications

(36 citation statements)

References 44 publications

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“…In this configuration, the diffusion barrier is greatly reduced and oxygen ions begin to move much faster toward the positive electrode (Figure d). Prior theoretical studies of the interaction between oxygen and the TiN surface demonstrate that the barrier for an oxygen atom to diffuse into TiN is significant . Arriving oxygen anions are thus likely to be trapped at the TiN/a‐SiO 2 interface.…”

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confidence: 99%

Nanoscale Transformations in Metastable, Amorphous, Silicon‐Rich Silica

et al. 2016

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electroluminescent devices, [ 2 ] electrochromic windows, [ 3 ] and transparent amorphous conductors [ 4 ] remains poorly understood. Abrupt changes of resistance in response to electrical stress are hallmarks of correlated electron and ion dynamics and an obvious manifestation of structural dynamics; such phenomena have been reported in a variety of oxides with a range of stoichiometries in different applications. Materials studied include indium tin oxide, zinc, vanadium, nickel, and titanium oxides, and silicon oxide, all of which have a variable degree of substoichiometry that affects the dynamics of resistance change. Here, we employ a suite of structural characterization techniques, including bias-induced resistance changes, to probe dynamic structural changes in amorphous oxides. Abrupt resistance changes are not necessarily central to device functionality, and in some cases, such as electroluminescence, are detrimental. Nevertheless, they demonstrate an extreme response to electrical stress. Silicon oxide, which we study here, is a technologically important oxide representative of the broader class of metastable amorphous oxides. It is historically one of the most studied materials, and the remarkable dynamics that we uncover are thus all the more surprising.Existing models for defect generation and electrical breakdown in oxides are often restricted to crystalline and stoichiometric materials; amorphous oxides present a formidable modeling challenge. Nevertheless, recent work on resistance switching highlights local structural and chemical changes driven by sub-breakdown electrical stress. Research into resistance changes in silicon oxide dates back to the 1960s and 1970s, when irreversible electrical breakdown was widely studied. [5][6][7][8] More recently, there have been reports of intrinsic reversible (soft) breakdown of silicon oxide, [9][10][11] usually ascribed to the formation of chains of oxygen vacancies [ 12 ] produced by fi elddriven movement of oxygen ions. The reversibility of these changes is of the greatest interest, as it probes the dynamics of oxides under controlled stress and provides a model for the initial stages of irreversible dielectric breakdown. In terms of applications, nonvolatile resistive random access memory (RRAM) [ 1 ] or analogue neuromorphic devices [ 13,14 ] are important technological areas that exploit reversible dynamic changes in oxide local structure. However, they are by no means the only applications relying on electrically stressed amorphous oxides. [2][3][4] The observation of quantized conductance in electrically stressed silicon oxide suggests further applications in quantum technology [ 15 ] while, in other fi elds, studies of electroluminescence from silicon-rich silicon oxide demonstrate that its optical properties depend critically on the sequence of applied voltage stress; over-stressing produces permanent Functional oxides are fundamental to modern microelectronics as high quality insulators, transparent conductors, electroluminescent and electrochro...

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Nanoscale Transformations in Metastable, Amorphous, Silicon‐Rich Silica

et al. 2016

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“…The formation of a native oxide layer is energetically favourable for many surfaces [17]. The formation of ultra-thin native oxide layers have been shown via experiments as well as quantum mechanical calculations for many systems such as Al(1 1 1) [18], Si(0 0 1) [19], Pd(1 1 1) [20], Ti [21], TiN [22], TiAlN [23,24], GaAs [25] and even for the noble metal Au [26,27]. The existence of native oxide layer on Fe at 25 K [28] and Ta at 15 K [29] supports the notion of a non-thermally activated reaction.…”

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confidence: 96%

Interaction of Al with O2 exposed Mo2BC

Bolvardi

Mušić

Schneider

2015

Applied Surface Science

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“…There is a controversy whether the diffusion of oxygen is responsible for oxidation [12][13][14][15][16][17][18] or Ti out-diffusion is a main source of oxidation shown through simulation [19,20], but detailed microstructural studies were not carried out. Here we have tried to capture an image at atomic scale of an epitaxial TiO 2 /TiN matrix to investigate the details of TiN oxidation.…”

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confidence: 99%

Epitaxial integration of TiO2 with Si(100) through a novel approach of oxidation of TiN/Si(100) epitaxial heterostructure

et al. 2016

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In this study, we provide a novel approach to the epitaxial integration of TiO 2 with Si(100) and investigate the defect mediated ferromagnetism in TiO 2 structure. Epitaxial TiO 2 thin films were grown on a TiN/Si(100) epitaxial heterostructure through oxidation of TiN where a single crystalline rutile-TiO 2 (r-TiO 2 ) with a [110] out-of-plane orientation was obtained. The epitaxial relationship is determined to be TiO 2 (1 0)||TiN(100) and TiO 2 (110)||TiN(110). We rationalized this epitaxy using the domain matching epitaxy paradigm. First TiN is grown epitaxially on Si(100). Subsequently, TiN/Si(100) samples are oxidized to create r-TiO 2 /TiN/Si(100) epitaxial heterostructures. The details of the mechanism behind the oxidation of single crystalline TiN to TiO 2 was investigated using atomic scale high resolution electron microscopy techniques. Defects introduced to the heterostructure during oxidation caused ferromagnetism in TiO 2 thin film which is reversible and can be tuned by controlling oxygen partial pressure. The source of magnetization is correlated with the presence of oxygen vacancy leading to introduction of two localized states; hybrid and polaron among neighboring Ti atoms, and titanium vacancy providing four holes to form molecular oxygen. We present structure property correlations and its impact on the next generation solid state devices.

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Vacancy segregation in the initial oxidation stages of the TiN(100) surface

Cited by 43 publications

References 44 publications

Nanoscale Transformations in Metastable, Amorphous, Silicon‐Rich Silica

Nanoscale Transformations in Metastable, Amorphous, Silicon‐Rich Silica

Interaction of Al with O2 exposed Mo2BC

Epitaxial integration of TiO2 with Si(100) through a novel approach of oxidation of TiN/Si(100) epitaxial heterostructure

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