DOS
Posted: Wed Sep 21, 2011 6:13 am
I want to draw atom projected DOS using /m/ =0, 1 & 2.
So far I know, m=0 is dz2 state, m=1 yz/xz state and m=2 xy/x2-y2 states. (Am I correct?)
I wanna know, can I compare the m=0 state ie dz2 (or other) of my cubic fcc L12 bulk Pt3Ni DOS with (001) or (110) or (111) surface atom's dz2?
From the definition of m, The magnetic quantum number, m, tells us the orientation of an orbital in space.
I want to draw the DOS.
Please suggest me the best way.
Thank you in advance.
So far I know, m=0 is dz2 state, m=1 yz/xz state and m=2 xy/x2-y2 states. (Am I correct?)
I wanna know, can I compare the m=0 state ie dz2 (or other) of my cubic fcc L12 bulk Pt3Ni DOS with (001) or (110) or (111) surface atom's dz2?
From the definition of m, The magnetic quantum number, m, tells us the orientation of an orbital in space.
I want to draw the DOS.
Please suggest me the best way.
Thank you in advance.