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Electronic and structural properties of InAs/InP core/shell nanowires: A first principles study
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10.1063/1.3692440
/content/aip/journal/jap/111/5/10.1063/1.3692440
http://aip.metastore.ingenta.com/content/aip/journal/jap/111/5/10.1063/1.3692440

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Schematic cross sections of the studied InAs/InP core/shell NWs. The core/shell NWs at the same column (row) share the identical core regions (diameter).

Image of FIG. 2.
FIG. 2.

(Color online) Variation of the lattice parameter with the composition x for InAs/InP core/shell NWs. The lattice parameter values for the InP and InAs NWs were taken from our previous work (Ref. 29).

Image of FIG. 3.
FIG. 3.

(Color online) Variation of the bandgap with the composition x for InAs/InP core/shell NWs. The bandgap values for the InP and InAs NWs were taken from our previous work (Ref. 29).

Image of FIG. 4.
FIG. 4.

Electronic band structure of (a) InAs NW with D ≈ 1 nm, (b) InAs NW with D ≈ 1.5 nm, and (c) InAs/InP core/shell NW with D ≈ 1.5 nm (core region with D ≈ 1 nm).

Image of FIG. 5.
FIG. 5.

(Color online) Charge density for the (a) VBM and (b) CBM of InAs/InP core/shell NW with D ≈ 2 nm.

Image of FIG. 6.
FIG. 6.

(Color online) Band structure of a InAs/InP core/shell NW with D ≈ 2 nm. The levels labeled c 1, c 2, v 1, and v 2 correspond to the CBM, CBM + 1, VBM, and VBM-1, respectively.

Tables

Generic image for table
Table I.

The numbers of InAs (InP) atoms, Nc (Ns ), in the core (shell) region, respectively. "H" represents the total number of hydrogen atoms, and N is the total number of atoms in the core/shell NWs.

Generic image for table
Table II.

Calculated valence band offset ΔEv in InAs/InP core/shell NWs: (i) core/shell NWs with the same total number of atoms (176 atoms) and varying the core and shell sizes, and (ii) core/shell NWs with the fixed core (14 core atoms) and varying the shell size.

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/content/aip/journal/jap/111/5/10.1063/1.3692440
2012-03-12
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Electronic and structural properties of InAs/InP core/shell nanowires: A first principles study
http://aip.metastore.ingenta.com/content/aip/journal/jap/111/5/10.1063/1.3692440
10.1063/1.3692440
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