Down spin conductance higher???

[Ashutosh]

Hi

I am working with organic molecules, to calculate conductance with various transition metal doping. I used Vanadium for doping and got conductance values of 3.9e-5 S and ~2.8e-5 S for Up and Down spins respectively, at 0 Volt bias. However, when I changed the dopant to Cobalt, I got conductance values as 1e-5 and 2e-5 S. According to my understanding, most of the codes treat the electron spin with higher density as UP spin, and the other one as Down spin, so I would expect the decreasing conductance values for both cases, when comparing Up spin to down spin. So, my question is how ATK treats electronic spin? Is it sensible that I get more population of down spin than up spin?

Thanks

[Anders Blom]

The results are certainly sensible, although to be clear you are not observing a higher population of spin down (well, you may be, but that's not what you write), you have a higher probability of transmission of the minority spins.