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Relation between the work function and Young's modulus of RhSi and estimate of Schottky-barrier height at RhSi/Si interface: An ab-initio study
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10.1063/1.4761994
/content/aip/journal/jap/112/9/10.1063/1.4761994
http://aip.metastore.ingenta.com/content/aip/journal/jap/112/9/10.1063/1.4761994

Figures

Image of FIG. 1.
FIG. 1.

(a) Top view of the surface unit cell of RhSi(010) surface as indicated by bold lines. (b) Top view of the surface unit cell of Si (010) surface as indicated by bold lines. (c) Side view of the atomic structure of RhSi/Si(010) supercell.

Image of FIG. 2.
FIG. 2.

Surface energies of RhSi(010) surface (a) vacancy-free stoichiometric (0 V), (b) one Rh atom vacancy (1 V_Rh), (c) two Rh atoms vacancy (2 V_Rh), (d) one Si atom vacancy (1 V_Si), (e) two Si atoms (2 V_Si), (f) one Rh-Si pair vacancy (2 V_Rh-Si).

Image of FIG. 3.
FIG. 3.

The average Coulomb potential (in eV) in RhSi/Si(010) supercell along Z (slab axis).

Image of FIG. 4.
FIG. 4.

The partial density of states (PDOS) projected onto p-orbitals of Si atom located on layers in Si region of the RhSi/Si supercell. The number indicates the layer from the interface. The Fermi energy is indicated by the dashed line. φ p is the p-type Schottky-barrier height.

Image of FIG. 5.
FIG. 5.

The PDOS projected onto p-orbitals of Si atom located on layers in Si region of the RhSi/Si supercell with two Rh atom vacancies at the interface. The shaded area is the PDOS in the RhSi/Si supercell without interface vacancies (see Fig. 4). The number indicates the layer from the interface. The Fermi energy is indicated by the dashed line.

Tables

Generic image for table
Table I.

Areal density (ρA ) of vacancies at RhSi(010) surface, work function (W.F) of RhSi(010) surface with vacancies, and p-SBH at Si/RhSi(010) interface with vacancies. Number of vacancies per surface unit cell is indicated by the number preceding the letter “V.”

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/content/aip/journal/jap/112/9/10.1063/1.4761994
2012-11-01
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Relation between the work function and Young's modulus of RhSi and estimate of Schottky-barrier height at RhSi/Si interface: An ab-initio study
http://aip.metastore.ingenta.com/content/aip/journal/jap/112/9/10.1063/1.4761994
10.1063/1.4761994
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