SiGe

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
sunnyone
Posts: 26
Joined: Fri Mar 01, 2013 11:12 pm

SiGe

Post by sunnyone » Fri Mar 01, 2013 11:16 pm

Dear all.

i am new here and i need an Input for calculating total energy of compound semiconductor SiGe and SiSn..

kind regards
Top
User avatar
jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: SiGe

Post by jzwanzig » Thu Mar 07, 2013 11:53 am

Do you have crystal structures for these compounds?
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
Top
sunnyone
Posts: 26
Joined: Fri Mar 01, 2013 11:12 pm

Re: SiGe

Post by sunnyone » Mon Mar 11, 2013 8:33 am

It is Zinc Blende B3 structure, but the if you know where i can find the properties of this compound in detail?or is there any good website for crystal structures? i found a lot of but they are not interest.



best regards
Top
Locked

Return to “Ground state”