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Topic: spin (Read 3836 times)
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azamat
Regular QuantumATK user
Posts: 7
Reputation: 0
spin
«
on:
May 30, 2010, 21:15 »
Hello, everyone! Now I meet a problem.
If I sodium atoms in the two probe system as a central atom selected, I must spin for the spin part 0.5, I defined?
If the gold electrode to act as, well, I must define its spin?
Thank you
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zh
Supreme QuantumATK Wizard
Posts: 1141
Reputation: 24
Re: spin
«
Reply #1 on:
May 31, 2010, 06:57 »
For Au and Na, it is no necessary to specify their spin. Usually, the typical transition metal such as Ni, Fe, Mn, Cr, V, Co and so, one should carefully check the magnetic state of a system containing such transition metal.
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youngjfly
Heavy QuantumATK user
Posts: 30
Reputation: 0
Re: spin
«
Reply #2 on:
May 31, 2010, 10:59 »
hey,budey
sodium doesn't belong to magnetic metal.it doesn't matter whether changing its spin or not.
it doesn't have much influence on transmission.
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youngjfly
Heavy QuantumATK user
Posts: 30
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Re: spin
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Reply #3 on:
May 31, 2010, 11:02 »
i mean buddy
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