Dear all,
I will appreciate some clarifications on the calculation of optical
properties of half metal in which the majority (spin up) channel is
semiconducting and metallic in the spin down channel. After calculating
optic -up(-dn) the following steps were followed. (i) For spin down
(metallic) channel: Calculate joint -dn (with switch 6);
Before the next step, look into the case.outputjointup file and write
down the plasma frequency. It gets overwritten by switch 4.
Calculate joint
-dn (with switch 4)
*_Question_*:How can the intraband and interband contributions be
extracted separately for this metallic spin down channel?
(ii) For the semiconducting spin up channel, switch 4 was used to
calculate joint -up.
_*Question*_: Where are the interband contributions written or does the
new outcome overwrite the earlier one?
(iii) joint-updn_lapw
_*Question*_: Is it necessary to use switch 6 in inkram, since we have
both semiconducting and metallic channels mixed in (iii) above? If 1 is
used in line 3 of inkram, shall we regard the outcome of x kram as
'sum' of both intraband and interband transitions?
What is "switch 6" in inkram ???
Use 1 in the 3rd line and the result is the sum of up+dn when you
provide the proper plama frequency (please checkout the comments how one
calculates the plasmafrequency in spin-pol. calc in the UG (sec. kram).
Thanks for your kind assistance.
Chukwuemeka Okoye
/------------------------------
Chukwuemeka M I *Okoye*
/
/Department of Physics and Astronomy,
/
/University of Nigeria,
/
/Nsukka, Enugu State,
/
/Nigeria/
Telephone: +234 7038766990
E-mail: cmi.ok...@unn.edu.ng <mailto:cmi.ok...@unn.edu.ng>
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