Charge transfer in Sr Zintl template on Si(001)

Choi, Miri; Posadas, Agham; Seo, Hosung; Hatch, Richard C.; Demkov, Alexander A.

doi:10.1063/1.4788916

Cited by 22 publications

(13 citation statements)

References 47 publications

(61 reference statements)

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“…Also, similar series of Sr- and Ba-induced structures can be observed by deposition of appropriate submonolayer amounts of metal atoms at RT, followed by annealing at 530–600 °C. In general, these results are in good agreement with previous studies (refs − , , , and ).…”

Section: Experimental Methodssupporting

confidence: 94%

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Atomic-Level Understanding of Interfaces in the Synthesis of Crystalline Oxides on Semiconductors: Sr- and Ba/Si(100)(2 × 3) Reconstructions

et al. 2014

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The synthesis of novel functional crystalline films on semiconductor substrates calls for atomic-level knowledge and controlling of the initial stages of interface or junction formation. Technologically relevant epitaxial oxide films can be grown on Si(100) surfaces modified by submonolayer alkaline earth adsorbates, e.g., barium (Ba) and strontium (Sr). Nevertheless, the fundamental properties of such surfaces, that is, Ba/ Si(100) and Sr/Si(100) reconstructions are still controversial, which hinders a deeper insight into the synthesis of crystalline oxide films on silicon. In this study, scanning tunneling microscopy (STM), low-energy electron diffraction, synchrotron-radiation photoemission, and ab initio calculations have been utilized to examine Sr-and Ba-induced Si(100)(2 × 3) reconstructions that form the first mediating step in the growth of various functional oxide films on Si(100). The presented results elucidate the atomic and electronic structures of the Si(100)(2 × 3)-Sr and -Ba interfaces, giving support to the so-called (2 × 3) dimer vacancy structure. In particular, using STM, we demonstrate an evidence for the Si dimer, one of the main structural elements of metal-induced reconstructions on semiconductor (100) surfaces. It is also shown that in contrast to the dimer vacancy geometry, the other models, proposed for the Sr-and Ba/Si(100)(2 × 3) earlier, cannot be adopted.

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Section: Experimental Methodssupporting

confidence: 94%

“…The Sr coverage of these surfaces was measured to be 0.12 ± 0.03 and 0.19 ± 0.04 ML, respectively. Finally, Choi et al observed the (2 × 3)-Sr reconstruction between 1/6 and 1/4 ML …”

Section: Introductionmentioning

confidence: 96%

Atomic-Level Understanding of Interfaces in the Synthesis of Crystalline Oxides on Semiconductors: Sr- and Ba/Si(100)(2 × 3) Reconstructions

et al. 2014

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“…24 The reconstructed surface in completion of charge transfer has stoichiometry of SrSi 2 , which is the same as that of a bulk SrSi 2 Zintl-Klemm intermetallic compound. 30 We have shown that the ionization energy of the system decreases as a function of Sr coverage, indicating a charge transfer from Sr to Si(001). A large difference in the electronegativity in the system drives charge transfer from A to X, leading to an unusual Zintl phase where the element X assumes the chemical identity of the element to its right in the periodic table.…”

Section: Introductionmentioning

confidence: 81%

“…[6][7][8][9]21,22 The half-monolayer Sr/Si(001) template has been extensively explored both experimentally and theoretically. [23][24][25][26][27][28][29][30] On unreconstructed Si(001), each surface atom has two dangling bonds with two electrons. 31 The second nearest neighbor atoms form a strong r-bond, leading to a 2 Â 1 symmetric dimer structure.…”

Section: Introductionmentioning

confidence: 99%

Combined in-situ photoemission spectroscopy and density functional theory of the Sr Zintl template for oxide heteroepitaxy on Si(001)

Seo

Choi

Posadas

et al. 2013

Journal of Vacuum Science &Amp; Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phen

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Articles you may be interested inFormation of a strontium buffer layer on Si(001) by pulsed-laser deposition through the Sr/Si(001)(2 × 3) surface reconstruction Appl. Ge/SrTiO3(001): Correlation between interface chemistry and crystallographic orientationHalf-monolayer Sr on Si(001) is a Zintl template necessary for epitaxial growth of SrTiO 3 on Si(001). The authors investigate the reconstruction in the atomic and electronic structure of Si(001) induced by sub-monolayer Sr deposition using in-situ x-ray/ultraviolet photoemission spectroscopy and density functional theory. Sub-monolayer Sr is deposited on Si(001) using molecular beam epitaxy and the structural evolution of the surface is monitored using reflection high-energy electron diffraction. Experimentally, the authors find that the ionization energy of Si(001) decreases as a function of Sr coverage from 4.82 eV for pure Si(001) to 3.97 eV for half-monolayer Sr on Si(001) due to charge transfer from Sr to Si. They calculate the ionization energy for sub-monolayer Sr on Si(001) by considering several atomistic models and find good agreement with experiment. The authors clearly establish the Zintl character of the template by measuring the surface core level shifts of Si(001) and half-monolayer Sr/Si(001). They analyze and interpret the results of these measurements using first-principles final state theory.

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“…The submonolayer Sr films have been extensively studied both theoretically [7][8][9] and experimentally by several techniques [10][11][12][13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Atomic structure of Sr/Si(0 0 1)(1 × 2) surfaces prepared by Pulsed laser deposition

Potočnik

Zupanič

Tong

et al. 2019

Applied Surface Science

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A B S T R A C TA buffer layer formed by depositing a ½ monolayer of Sr on Si(0 0 1) is known to passivate the Si surface, while its surface structure constitutes a suitable template for the integration of various functional oxides with the existing Si platform. We used Pulsed Laser Deposition (PLD) to prepare a Sr/Si(0 0 1)(1 × 2) surface and analysed it using in-situ Reflection High-Energy Diffraction (RHEED) in combination with low-temperature Scanning Tunneling Microscopy (STM). The STM images reveal an atomically ordered surface with terraces composed of one-dimensional (1D) chains running along perpendicular directions on neighbouring terraces. The 1D chains are separated by 0.78 nm and exhibit a low-amplitude corrugation with a period of 0.39 nm. The measured values agree well with the size of the (1 × 2) unit cell observed for similar MBE-grown surfaces, while the density of the surface defects is somewhat higher in the presented case. According to simulated STM images based on DFT calculations, two types of surface defects were identified and explored: arrays of Sr vacancies and Sr adatoms. These results show that PLD can offer precise control for the preparation of high-quality Sr-buffered Si(0 0 1) surfaces. Recently, an atomic model of the ½ ML Sr on Si(0 0 1)(2 × 1) was proposed based on a combined DFT-STM study [17]. Currently, the main technique used for the preparation of the Sr/Si(0 0 1) surface is https://doi.

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Charge transfer in Sr Zintl template on Si(001)

Cited by 22 publications

References 47 publications

Atomic-Level Understanding of Interfaces in the Synthesis of Crystalline Oxides on Semiconductors: Sr- and Ba/Si(100)(2 × 3) Reconstructions

Atomic-Level Understanding of Interfaces in the Synthesis of Crystalline Oxides on Semiconductors: Sr- and Ba/Si(100)(2 × 3) Reconstructions

Combined in-situ photoemission spectroscopy and density functional theory of the Sr Zintl template for oxide heteroepitaxy on Si(001)

Atomic structure of Sr/Si(0 0 1)(1 × 2) surfaces prepared by Pulsed laser deposition

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Charge transfer in Sr Zintl template on Si(001)

Cited by 22 publications

References 47 publications

Atomic-Level Understanding of Interfaces in the Synthesis of Crystalline Oxides on Semiconductors: Sr- and Ba/Si(100)(2 × 3) Reconstructions

Atomic-Level Understanding of Interfaces in the Synthesis of Crystalline Oxides on Semiconductors: Sr- and Ba/Si(100)(2 × 3) Reconstructions

Combined in-situ photoemission spectroscopy and density functional theory of the Sr Zintl template for oxide heteroepitaxy on Si(001)

Atomic structure of Sr/Si(0 0 1)(1 × 2) surfaces prepared by Pulsed laser deposition

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Atomic structure of Sr/Si(0 0 1)(1 × 2) surfaces prepared by Pulsed laser deposition