[Wien] A general question about Spin Polarized calculation/materials

Qiwen YAO Yao.Qiwen at nims.go.jp
Fri Oct 7 03:17:31 CEST 2011


Dear Wien2k users,
I am wondering if there is a specific/practical way to measure/differentiate whether a spin polarized material is spin up or spin down - apart from using a software like Wien2k's calculation to achieve the result? 

I know that we can obtain such a result for a solid state material via the spin polarized calculation using Wien2k - and via Wien2k we can also find out the material's over all spin polarized state (via the Total DOS, for example) if it is spin up or spin down. But I keep wondering: how do we tell and in what way can I say a spin polarized calculation result is meaningful/significant to practical applications - in a practical or measurable way?  

Thank you,
Wen

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Dr QiWen YAO
JSPS Fellow
Multifunctional Materials Group
Optical and Electronic Materials Unit
Environment and Energy Materials Research Division

National Institute for Materials Science

1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan
Phone: +81-29-851-3354, ext. no. 6482, Fax: +81-29-859-2501

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