Difference in the structures on highly B-doped Si(111) surfaces by heating treatments

Nakamura, Kotaro; Masuda, Katsuyuki; Shigeta, Yasuteru

doi:10.1016/s0039-6028(00)00246-6

Cited by 6 publications

(3 citation statements)

References 13 publications

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“…Similar to our conclusions, few earlier studies also found that some B atoms are located in other than L c 1 positions and that this depends on the heat treatment 13,16,17 . The exact location of these non-L c 1 boron atoms is not quite clear and it may further differ from sample to sample.…”

Section: Discussionsupporting

confidence: 93%

“…Indeed, several local-probe studies involving scanning tunneling microscopy (STM) or atomic-force microscopy (AFM) suggest that the B atoms may occupy also other positions than the L c 1 site [12][13][14][15] . A lot of attention was focused on how the structure varies depending on the conditions of preparation, especially on the heat treatment 1,[12][13][14]16,17 .…”

Section: Introductionmentioning

confidence: 99%

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Local geometry around B atoms in B/Si(1 1 1) from polarized x-ray absorption spectroscopy

Khan¹,

Vondráček²,

Blaha³

et al. 2019

J. Phys.: Condens. Matter

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The arrangement of B atoms in a doped Si(111)-( √ 3 × √ 3)R30 • :B system was studied using near-edge x-ray absorption fine structure (NEXAFS). Boron atoms were deposited via segregation from the bulk by flashing the sample repeatedly. The positions of B atoms are determined by comparing measured polarized (angle-dependent) NEXAFS spectra with spectra calculated for various structural models based on ab-initio total energy calculations. It is found that most of boron atoms are located in sub-surface L c 1 positions, beneath a Si atom. However, depending on the preparation method a significant portion of B atoms may be located elsewhere. A possible location of these non-L c 1 -atoms is at the surface, next to those Si atoms which form the ( √ 3× √ 3)R30 • reconstruction.

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Section: Discussionsupporting

confidence: 93%

Section: Introductionmentioning

confidence: 99%

Local geometry around B atoms in B/Si(1 1 1) from polarized x-ray absorption spectroscopy

Khan¹,

Vondráček²,

Blaha³

et al. 2019

J. Phys.: Condens. Matter

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“…Clearly, the species formed from the gas phase is highly dependent on the experimental condition. As the information about the relationship between conditions and solid properties accumulates, − some theoretical mechanisms involving the gas phase and surface are also proposed. − In particular, on the observation that B 2 H 6 can raise the silicon deposition rate to a certain extent in some experiments, , various boron−silicon hydrides are investigated theoretically. − It is not clear, however, what kinds of initial chemical reaction are actually induced between the two source-gas molecules SiH 4 and B 2 H 6 , and no detailed pathways have been traced to the small precursors formed from the original mixtures. In previous works, , we have demonstrated the existence of a hydrogen-bridged SiH 4 −BH 3 complex.…”

Section: Introductionmentioning

confidence: 99%

Gas Phase Reactions between SiH₄and B₂H₆: A Theoretical Study

Wang

2003

J. Phys. Chem. A

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Gas-phase reactions of silane (SiH 4 ) and diborane (B 2 H 6 ) are investigated using ab initio calculations at the MP2/6-311++g** level. Initially SiH 4 and B 2 H 6 are only weakly attracted to each other. Under thermal activation, the two molecules can overcome an energy barrier of 33.87 kcal/mol to associate into a complex SiH 4 -BH 3 -BH 3 with a hydrogen-bridged Si-H-B bond. Upon bonding, one of the two hydrogen-bridged bonds B-H-B in B 2 H 6 is broken and the other becomes polarized. Started from the SiH 4 -BH 3 -BH 3 complex, three comparable fragmentation pathways involving BH 3 and H 2 elimination produce several silaboranes with various silicon-boron-hydrogen ratios. A much higher barrier exists between the initial loosely bonded SiH 4 -B 2 H 6 system and a direct H 2 elimination product SiH 3 -B 2 H 5 with C s symmetry. The bonding nature in the species are further elucidated through topological analysis of electron density using the AIM theory. These intermediate silaboranes are possible precursors for chemical vapor deposition in fabricating boron doped silicon films. Their composition and polarity may determine their tendency of surface adsorption and the properties of the relevant solid. The proposed mechanisms can help to understand and control the initial gas-phase reactions in practice. Calculated IR spectra, dipole moment, and rotational constants of the species are provided to facilitate experimental investigations.

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Photoelectron spectroscopic studies of ultra-thin CuPc layers on a Si(111)-(√3 × √3)R30°-B surface

et al. 2016

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Difference in the structures on highly B-doped Si(111) surfaces by heating treatments

Cited by 6 publications

References 13 publications

Local geometry around B atoms in B/Si(1 1 1) from polarized x-ray absorption spectroscopy

Local geometry around B atoms in B/Si(1 1 1) from polarized x-ray absorption spectroscopy

Gas Phase Reactions between SiH₄and B₂H₆: A Theoretical Study

Photoelectron spectroscopic studies of ultra-thin CuPc layers on a Si(111)-(√3 × √3)R30°-B surface

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Difference in the structures on highly B-doped Si(111) surfaces by heating treatments

Cited by 6 publications

References 13 publications

Local geometry around B atoms in B/Si(1 1 1) from polarized x-ray absorption spectroscopy

Local geometry around B atoms in B/Si(1 1 1) from polarized x-ray absorption spectroscopy

Gas Phase Reactions between SiH4and B2H6: A Theoretical Study

Photoelectron spectroscopic studies of ultra-thin CuPc layers on a Si(111)-(√3 × √3)R30°-B surface

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Gas Phase Reactions between SiH₄and B₂H₆: A Theoretical Study