Nucleation site of Cu on the H-terminated Si(111) surface

Tatsumura, Kosuke; Watanabe, Takanobu; Hara, K.; Hoshino, T.; Ohdomari, Iwao

doi:10.1103/physrevb.64.115406

Cited by 14 publications

(24 citation statements)

References 30 publications

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“…The qualitative result reached in Ref. 23, that copper prefers to adsorb at dihydride rather than monohydride sites on the surface, agrees with our results and supports experiments studying copper nucleation. [40][41][42][43][44] These calculations are part of a larger effort to include the role of metal impurities in a multiscale model of anisotropic wet chemical etching.…”

Section: Discussionsupporting

confidence: 91%

“…It is interesting that our results completely contradict previous calculations 23 of the same system. These authors found adsorption energies of less than 0.1 eV on H-terminated sites and about 0.3 eV for OH-terminated sites ͑compared to over 1.0 eV in our calculations͒ using 11-14 atom cluster models.…”

Section: Discussioncontrasting

confidence: 91%

“…We found a local minimum with an adsorption energy of 0.3 eV at a geometry similar to that presented in Ref. 23, but less symmetric. However, this was not the ground state in our calculations, and we found that copper prefers to sit just above the center of three silicons close to the central monohydride silicon.…”

Section: Discussionsupporting

confidence: 76%

“…Furthermore, in many applications, the surface is hydrogen-terminated due to the cleaning process, and studies of the interaction of copper and silicon in the presence of hydrogen have been even more limited. 10,20,22,23 A comparative study of copper deposition on the clean and hydrogenterminated silicon ͑111͒ surface showed that the growth modes are quite similar at room temperature, but that at higher temperatures ͑570-770 K͒ copper is much more mobile on the hydrogen-terminated surface. 22 Theoretical predictions support the mobility of copper on a hydrogenterminated surface, 23 but the very low calculated adsorption energies are difficult to reconcile with etching experiments.…”

Section: Introductionmentioning

confidence: 99%

“…10,20,22,23 A comparative study of copper deposition on the clean and hydrogenterminated silicon ͑111͒ surface showed that the growth modes are quite similar at room temperature, but that at higher temperatures ͑570-770 K͒ copper is much more mobile on the hydrogen-terminated surface. 22 Theoretical predictions support the mobility of copper on a hydrogenterminated surface, 23 but the very low calculated adsorption energies are difficult to reconcile with etching experiments. 6 According to wet etching experiments in alkaline solutions, [24][25][26] Cu has a dramatic impact on the etch rate, the surface morphology, and the surface roughness of ͑110͒ and ͑100͒.…”

Section: Introductionmentioning

confidence: 99%

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First-principles calculations of Cu adsorption on an H-terminated Si surface

et al. 2007

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In this study, we use first-principles simulations to study the adsorption of copper onto H-terminated and partially OH-terminated silicon surfaces. We show that, in contrast to previous studies, copper adsorbs strongly to the H-terminated silicon surface and that the adsorption energy is significantly dependent on the local bonding environment. The addition of a hydroxide group increases the average adsorption energy while reducing the range of adsorption energies due to the strong interaction between copper and oxygen. Our results predict that copper will generally prefer to adsorb at dihydride sites on the surface, agreeing with experimental studies of copper nucleation. The adsorption energy hierarchy predicted by the calculations strongly supports the suggestion that copper acts as a micromask in wet chemical etching, blocking reactive sites.

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Section: Discussionsupporting

confidence: 91%

Section: Discussioncontrasting

confidence: 91%

Section: Discussionsupporting

confidence: 76%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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First-principles calculations of Cu adsorption on an H-terminated Si surface

et al. 2007

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Ex situ scanning tunneling microscopy study of Cu nanowires formed by electroless deposition at atomic‐step edges of flat Si(111) surfaces

Yoshimatsu

Shigetoshi

Uchikoshi

et al. 2008

Surface & Interface Analysis

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We immerse flattened H-terminated Si(111) surfaces into Cu-containing ultralow-dissolved-oxygen water. We confirm, by atomic force microscopy (AFM) observations, that Cu wires with the width of about 10 nm are formed at atomic-step edges of the Si(111) surfaces. On the contrary, ex situ scanning tunneling microscopy (STM) images show grooves at step edges on this surface. Both XPS spectra of Cu signals and possible chemical reactions during the electroless deposition of Cu atoms at the step edges suggest that Si oxides underneath the Cu nanowires are the origin of the grooves in the STM images. Furthermore, we present the possibility of controlling the width of one-dimensional Si oxides along the Cu nanowires at step edges by subsequent processes using oxidants.

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