In-diffusion of Pt in Si from the PtSi/Si interface

Mantovani, S.; Nava, F.; Nobili, C.; Ottaviani, G.

doi:10.1103/physrevb.33.5536

Cited by 77 publications

(24 citation statements)

References 32 publications

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“…Similar profiles are observed for Au [83][84][85][86] and Pt [95,96,[98][99][100]. In addition to Zn profiles in dislocation-free and highly dislocated Si, also experimental profiles are illustrated that reveal the impact of a reduced Zn vapor pressure on Zn diffusion and the time evolution of Zn diffusion.…”

Section: Experimental Diffusion Profilessupporting

confidence: 68%

“…with the reduced diffusion coefficient [41,83,93,100]) are in accord with the Si self-diffusion coefficients determined from direct tracer diffusion studies. This confirms the kickout mechanism for the diffusion of these elements in Si and the contribution of I to Si self-diffusion [58].…”

Section: Diffusion In Dislocation-free Crystalssupporting

confidence: 52%

“…This limitation is justified because the in-diffusion of hybrid elements such as Au [82,84,86], Pt [95,100], and Zn [41,93] fully determine the solution of the differential equations under given initial-and boundary conditions. The boundary conditions…”

Section: Simulation Of Kick-out Diffusionmentioning

confidence: 98%

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Diffusion and Point Defects in Silicon Materials

Bracht

2015

Lecture Notes in Physics

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This chapter aims to provide a basic understanding on the complex diffusion behavior of self-, dopant-, and selected metal atoms in silicon (Si). The complexity of diffusion in Si becomes evident in the shape of self-and foreign-atom diffusion profiles that evolves under specific experimental conditions. Diffusion studies attempt to determine from the diffusion behavior not only the mechanisms of atomic transport but also the type of the point defects involved. This information is of pivotal interest to control the diffusion and activation of dopants during the fabrication of Si-based devices and, from a more fundamental scientific point of view, for comparison to the predictions of theoretical calculations on the properties of point defects in Si. In general, diffusion research relies both on experimental methods to accurately determine diffusion profiles established under well-defined conditions. The analysis of diffusion profiles that can be based on either analytical or numerical solutions of the considered diffusion-reaction equations provides first information about possible diffusion mechanisms. To identify the mechanisms of diffusion, studies under different experimental conditions have to be performed. This chapter on diffusion in Si starts with an introduction on the significance of diffusion research in semiconductors to determine the properties of atomic defects. Diffusion in solids is treated from a phenomenological and atomistic point of view. Experiments designed to investigate the diffusion of self-and foreign atoms are presented and typical self-and foreign-atom profiles obtained after diffusion annealing under specific conditions are illustrated. The mathematical treatment of diffusion-reaction mechanisms is introduced to understand the shape of diffusion profiles and the meaning of the diffusion coefficient deduced from experiments. Modeling of self-, dopant-, and metal-atom diffusion is described that aims at a consistent interpretation of atomic transport processes in Si based on unified properties of the native point defects involved. Finally, till unsolved questions on the properties of point defects in bulk Si and on the diffusion behavior in threedimensional confined Si structures are addressed.

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Section: Experimental Diffusion Profilessupporting

confidence: 68%

Section: Diffusion In Dislocation-free Crystalssupporting

confidence: 52%

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Diffusion and Point Defects in Silicon Materials

Bracht

2015

Lecture Notes in Physics

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“…Indeed, the SBH of the most stable structures, the Pt-sub1 of the 1 × 1 supercell and the 4-3-2-1-0 of the 2 × 1 supercell, are approximately 0.1 eV lower than the bulk-terminated structure. Many experimental studies [34][35][36] have reported the diffusion of Pt atoms from silicide to silicon, which agrees with our energy formation calculations, which imply that SBH will be lowered by Pt penetration. If the same amount of SBH lowering occurs in other functional calculations, the LDA 2015) and GGA results are in the experimentally measured range, but the TB-mBJ and HSE06 results are out of the range.…”

Section: A Evaluation Of the Structural And Theoretical Modelssupporting

confidence: 81%

The Schottky barrier modulation at PtSi/Si interface by strain and structural deformation

et al. 2015

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We show, using density functional theory (DFT) calculations, that the Schottky barrier height (SBH) at the PtSi/Si interface can be lowered by uniaxial strain applied not only on Si but also on PtSi. The strain was applied to the (001) direction of Si and PtSi, which is normal for the interface. The SBH of the hole is lowered by 0.08 eV under 2% of tensile strain on Si and by 0.09 eV under 4 % of compressive strain on PtSi. Because the SBH at PtSi/Si contact is approximately 0.2 eV, this amount of reduction can significantly lower the resistance of the PtSi/Si contact; thus applying uniaxial strain on both PtSi and Si possibly enhances the performance of Schottky barrier field effect transistors. Theoretical models of SB formation and conventional structure model are evaluated. It is found that Pt penetration into Si stabilizes the interface and lowers the SBH by approximately 0.1 eV from the bulk-terminated interface model, which implies that conventionally used bulk-terminated interface models have significant errors. Among the theoretical models of SB formation, the model of strong Fermi level pining adequately explains the electron transfer phenomena and SBH, but it has limited ability to explain SBH changes induced by changes of interface structure.

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“…There does not appear to be a simple theory which explains why one element prefers to sit at an interstitial site while another is a substitutional defect. Interstitial TM defects migrate rapidly and are able to find dopants to form centres such as Fe-B pairs, before they occupy substitutional sites via a kick-out mechanism as in the case of Pt [181,195,209,210].…”

Section: Substitutional Transition-metal Defectsmentioning

confidence: 99%