Surface segregation behavior of B, Ga, and Sb during Si MBE: Calculations using a first-principles method

Ushio, Jiro; Nakagawa, Kiyokazu; Miyao, Masanobu; Maruizumi, Takuya

doi:10.1103/physrevb.58.3932

Cited by 22 publications

(23 citation statements)

References 18 publications

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“…The incorporated-state energies for both Ga and Sb atoms increase monotonically as they go deeper from the adsorption site to the fifth Ge layer. These potential energy curves for B, Ga, and Sb atoms on Ge (100) surface are very close to those obtained for Si (100) surface [4]. This simply implies that surface segregation behavior on Ge(100) surface for these four dopant atoms is expected to be similar to that on Si (100) surface ; B and As atoms will not segregate to the Ge (100) surface during MBE process, but Ga and Sb will do.…”

Section: Resultssupporting

confidence: 75%

“…The same tendency in the adsorption energy is observed for the dopant adsorption on Si (100) surface. The adsorption structures of these dopant atoms on the Ge (100) surface were very similar to those reported for Si (100) surface [4]. The adsorption structures at T4 site on Ge (111) surface are shown in Figure 3.…”

Section: Resultssupporting

confidence: 74%

“…The calculated adsorption energies on Si (100) and Si (111) surfaces are also tabulated for comparison [4,9]. B atom has the largest adsorption energies for both Ge (100) and Ge (111) surfaces due to its largest bonding energy to Ge atom.…”

Section: Resultsmentioning

confidence: 99%

“…No surface reconstruction was explicitly considered as a first approximation for both surfaces in this study because there remains no reconstructed structures in the MBE grown epitaxial layer. The Ge (100) surface model has the same surface configuration as modeled in our previous paper for Si (100) calculations and the bridge site was taken as the adsorption site for Ge (100) surface due to its largest adsorption energy for B dopant on Si (100) surface [4]. For the Ge (111) surface model, the adsorption site was assumed to be a T4 site with 3-fold symmetry located on the top of a Ge atom in the second layer.…”

Section: Calculation Detailsmentioning

confidence: 99%

“…It is known that B, Ga, Sb, and Ge show different behaviors in surface segregation during-Si MBE [1][2][3]. We previously examined these segregation behaviors on Si (100) surface with calculations using a first-principles method and showed that the trend of surface segregation is primarily prospected by seeing the bond energy difference between the dopant-Si and Si-Si bonds [4]. Aggressive downscaling of high-performance metal-oxide semiconductor field effect transistors (MOSFET) is bringing about the revival of Ge as a promising candidate material for high mobility complementary MOS (CMOS).…”

Section: Introductionmentioning

confidence: 99%

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Surface Segregation Behavior of B, Ga, Sb, and As Dopant Atoms on Ge(100) and Ge(111) Examined with a First-principles Method

Iijima

Sawano

Ushio

et al. 2013

J. Phys.: Conf. Ser.

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Abstract. To understand surface segregation behaviour of B, Ga, As, and Sb dopant atoms on Ge (100) and Ge (111) surfaces, the potential energies of these dopant atoms in the five top layers of the surfaces were evaluated by first-principles molecular orbital calculations of model clusters. The obtained potential energy curves of these dopant atoms for Ge (100) closely resemble those for Si (100) surface. On the other hand, Ge (111) surface exhibits different potential profiles as compared with Ge (100) surface. The thermal activation energy between the adsorbed state and sub-surface state was also evaluated for each dopant atom. These energy data determining the driving force and dynamical property of dopant segregation help us to understand the difference in dopant surface segregation phenomena on Ge(100) and Ge(111) surfaces from an atomistic point of view.

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Section: Resultssupporting

confidence: 75%

Section: Resultssupporting

confidence: 74%

Section: Resultsmentioning

confidence: 99%

Section: Calculation Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Surface Segregation Behavior of B, Ga, Sb, and As Dopant Atoms on Ge(100) and Ge(111) Examined with a First-principles Method

Iijima

Sawano

Ushio

et al. 2013

J. Phys.: Conf. Ser.

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Stable position of a B₁₂ cluster near the Si surface and its STM images

Maruizumi

Suwa

2013

Elect Comm in Japan

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We conducted a first-principles examination to determine the most stable position of an icosahedral B 12 cluster near a Si(001) surface. We discovered that such a cluster is most stable when its center is located at the fourth layer position from the Si top surface where a Si dimer sits directly overhead. Scanning tunneling microscopy (STM) simulation revealed that Si dimers above the B 12 cluster are distinguishable from other dimers in STM images at low sample bias voltages.

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Effect of low-temperature-grown GaSb layer on formation of high-density and small GaSb islands on Si(100) substrate

Machida

Toda

Fujikawa

et al. 2016

Phys. Status Solidi B

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The effect of a low‐temperature‐grown gallium antimonide (LT‐GaSb) layer on the formation of high‐density GaSb islands on a Si(100) substrate was studied using ultrahigh‐vacuum scanning tunneling microscopy (UHV‐STM) and atomic force microscopy. By using an LT‐GaSb layer in the initial growth stage (new growth method), high‐density and small GaSb islands were formed at 500 °C regardless of the type of the reconstructed surface. The density and size of the GaSb islands with the LT‐GaSb layer were estimated to be ∼1.0 × 1011 cm−2 and ∼20 nm, respectively. The STM results showed that the LT‐GaSb layer was composed of an Sb‐rich amorphous GaSb layer. With a rapid increase in temperature under the Sb flux, the LT‐GaSb layer immediately changed into GaSb nuclei with a high density (2.1 × 1011 cm−2) and small size (11 nm). It is suggested that these high‐density and small GaSb islands grow from the GaSb nuclei, which act as crystal seeds.

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Surface segregation behavior of B, Ga, and Sb during Si MBE: Calculations using a first-principles method

Cited by 22 publications

References 18 publications

Surface Segregation Behavior of B, Ga, Sb, and As Dopant Atoms on Ge(100) and Ge(111) Examined with a First-principles Method

Surface Segregation Behavior of B, Ga, Sb, and As Dopant Atoms on Ge(100) and Ge(111) Examined with a First-principles Method

Stable position of a B₁₂ cluster near the Si surface and its STM images

Effect of low-temperature-grown GaSb layer on formation of high-density and small GaSb islands on Si(100) substrate

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Surface segregation behavior of B, Ga, and Sb during Si MBE: Calculations using a first-principles method

Cited by 22 publications

References 18 publications

Surface Segregation Behavior of B, Ga, Sb, and As Dopant Atoms on Ge(100) and Ge(111) Examined with a First-principles Method

Surface Segregation Behavior of B, Ga, Sb, and As Dopant Atoms on Ge(100) and Ge(111) Examined with a First-principles Method

Stable position of a B12 cluster near the Si surface and its STM images

Effect of low-temperature-grown GaSb layer on formation of high-density and small GaSb islands on Si(100) substrate

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Stable position of a B₁₂ cluster near the Si surface and its STM images