CONTACT

Section can be repeated.

Parameters for defining device contacts. [Edit on GitHub]

Keywords

• BANDWIDTH

• INJECTING_CONTACT

• INJECTION_SIGN

• N_ATOMS

• START

Keyword descriptions

BANDWIDTH

Type: integer
Default: 0
Usage: BANDWIDTH

Description: The number of neighboring unit cells that one unit cell interacts with.

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INJECTING_CONTACT

Type: logical
Default: T
Lone keyword: T

Description: whether or not the contact can inject electrons.

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INJECTION_SIGN

Type: enum
Default: POSITIVE
Usage: INJECTION_SIGN

Description: Contact unit cell interacts with unit cells to the right (positive) or to the left (negative).

Valid values:

• POSITIVE When the contact unit cell is at the upper left corner of the Hamiltonian.

• NEGATIVE When the contact unit cell is at the lower right corner of the Hamiltonian.

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N_ATOMS

Type: integer
Default: 0
Usage: N_ATOMS

Description: Number of atoms in the contact unit cell.

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START

Type: integer
Default: 0
Usage: START

Description: Index of the first atom in the contact unit cell. Set to 0 to define the contact unit cell as the first/last N_ATOMS of the structure (after cutout)

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