QuantumATK Forum
Welcome,
Guest
. Please
login
or
register
.
Did you miss your
activation email
?
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
News:
QuantumATK W-2024.09 version released on Sep 9, 2024
Home
Help
Search
Login
Register
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Work function of oxides
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: Work function of oxides (Read 2868 times)
0 Members and 1 Guest are viewing this topic.
ams_nanolab
Supreme QuantumATK Wizard
Posts: 389
Country:
Reputation: 11
Work function of oxides
«
on:
February 3, 2015, 07:04 »
Is it possible to simulate the workfunction of oxides and electron affinity of semiconductors in ATK. There's a tutorial for metals, but is the same methodology applicable for other materials?
http://quantumwise.com/publications/tutorials/item/499-computing-the-work-function-of-a-metal-surface-using-ghost-atoms
Logged
Umberto Martinez
Supreme QuantumATK Wizard
Posts: 479
Country:
Reputation: 26
Re: Work function of oxides
«
Reply #1 on:
February 3, 2015, 15:13 »
yes you can follow the same procedure, also reported in here
http://quantumwise.com/publications/tutorials/item/519-tuning-the-work-function-of-silver-by-deposition-of-ultrathin-oxide-layers
be aware of the definition of electron affinity in an oxide/semiconductor. Search in the forum, this topic has been discussed already.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Work function of oxides