Electron microscopy characterisation of erbium silicide-thin films grown on a Si(111) substrate

Frangis, N.; Tendeloo, G. Van; Landuyt, J. van; Muret, Pierre; Nguyen, T.T.A.

doi:10.1016/0169-4332(96)00040-2

Cited by 11 publications

(7 citation statements)

References 8 publications

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“…We showed also that the vacancies are rotated by 120°from one Si plane to the other one around the ͑0001͒ axis even if these rotations have much smaller influence on the total energy than the relaxation due to the vacancy. Neighboring configurations with different rotation angles and periodicity along the c axis are very close in energy and this has to be related to the modulated structures observed by Frangis et al 7 Bulk relaxation occurs in the hexagonal planes mainly because the silicon planes are confined between two rareearth planes. This strain vanishes at the surface where atoms can move along the c axis.…”

mentioning

confidence: 75%

Ab initiocalculations of the structural properties of theYSi2(0001) surface

Magaud¹,

Pasturel

Kresse

et al. 1998

Phys. Rev. B

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The structural properties of the YSi 2 ͑0001͒ surface are investigated by means of ab initio simulations based on density-functional theory. More particularly, we show that the surface atomic structure consists of a buckled Si double layer with atomic positions of the surface atoms very close to the ideal Si͑111͒ ͑1ϫ1͒ surface. The ()ϫ))R30°superstructure is attributed to a relaxation of the upper Si atoms.

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mentioning

confidence: 75%

Ab initiocalculations of the structural properties of theYSi2(0001) surface

Magaud¹,

Pasturel

Kresse

et al. 1998

Phys. Rev. B

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“…Double-and triple-c-cell calculations found that vacancies are in fact rotated by 120°in two or three successive silicon planes along the ͓0001͔ direction, as observed by LEED measurements 7 or in HREM images. 27 However, a rotated configuration cannot be strictly described by the Th 3 Pd 5 -type structure. The small energy differences found in our calculations lead to the presence of modulated structures in these materials.…”

Section: Discussionmentioning

confidence: 99%

“…More recently, Frangis et al emphasized the occurrence of the modulated structures in erbium disilicidethin films grown on a Si͑111͒ substrate using electron microscopy characterization ͑HREM͒. 27 Among these modulated structures, high-resolution images confirm the presence of the 2c-layer sequence but also a 3c-layer sequence.…”

Section: B Long-range Ordering Of Vacancies Along C Axismentioning

confidence: 95%

Role of silicon vacancies in yttrium-disilicide compounds from ab initio calculations

Magaud¹,

Pasturel

Kresse

et al. 1997

Phys. Rev. B

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The structural properties of the compound YSi 2 are investigated by means of ab initio simulations based on density-functional theory. More particularly we emphasize the role played by Si vacancies, show that the Th 3 Pd 5 structure can be deduced from the AlB 2 structure by a relaxation process around the Si vacancies within the ͑0001͒ plane. A specific ordered arrangement of the Si vacancies along the ͓0001͔ direction is found to be energetically the most favorable. Geometries obtained from our theoretical calculations are in good agreement with experimental results. ͓S0163-1829͑97͒06920-8͔

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“…12 At higher coverage, a ͑ ͱ 3 ϫ ͱ 3͒R30°L EED pattern appears, and a three-dimensional ͑3D͒ metallic silicide is formed. [13][14][15][16][17][18][19] The atomic structure of the inner silicide planes of these 3D metallic RE silicides grown on Si͑111͒ is sketched in Fig. 1 ͑we will refer to that as the bulk structure in the present work͒.…”

Section: Introductionmentioning

confidence: 99%

“…Although the most accepted model includes a rotation angle of 120°, 15,23 other angular values, like 60°, or 0°, have been published too. 21 In the last years, theoretical 22,24,25 and experimental studies 16,21,[26][27][28][29] have been carried out in order to determine the surface atomic positions in RESi 1.7 epitaxially grown on Si͑111͒. However, the atomic structure of the silicide surface has not been properly established until now.…”

Section: Introductionmentioning

confidence: 99%

Surface atomic structure determination of three-dimensional yttrium silicide epitaxially grown on Si(111)

2005

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The surface atomic structure of thin layers of three-dimensional yttrium silicide epitaxially grown on Si͑111͒ 7 ϫ 7 has been investigated by means of dynamical low-energy electron diffraction analysis. We determine the interlayer distances as well as the lateral and/or vertical relaxations of the atoms in the superficial planes. The epitaxial silicide consists of stacked hexagonal rare-earth planes and graphitelike Si planes with an ordered arrangement of Si vacancies. The ordered net of Si vacancies in the inner planes is responsible for the lateral relaxations of the surrounding Si atoms. The topmost layer does not present a graphitelike structure, forming a buckled Si layer with no vacancies. One of the three Si atoms in the lower plane of this bilayer is closer to the yttrium layer due to the presence of the vacancy in the last Si plane just below. This produces vertical relaxation in the termination layer.

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Electron microscopy characterisation of erbium silicide-thin films grown on a Si(111) substrate

Cited by 11 publications

References 8 publications

Ab initiocalculations of the structural properties of theYSi2(0001) surface

Ab initiocalculations of the structural properties of theYSi2(0001) surface

Role of silicon vacancies in yttrium-disilicide compounds from ab initio calculations

Surface atomic structure determination of three-dimensional yttrium silicide epitaxially grown on Si(111)

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