{[ promptMessage ]}

Bookmark it

{[ promptMessage ]}


Chemistry 3 orbital overlap and bands overlap m d t2g

Info iconThis preview shows page 1. Sign up to view the full content.

View Full Document Right Arrow Icon
This is the end of the preview. Sign up to access the rest of the document.

Unformatted text preview: (M d t2g O 2p ) Band Runs Uphill point (kx=ky=0) non-bonding point (kx=ky=/a) antibonding Greater Spatial Overlap W(*) > W(*) * Overlap (M d eg O 2p ) Band Runs Uphill Chemistry 754 - Solid State Chemistry Overlap in 3D So far we have been working mostly in 1D and 2D. In 3D keep the following overlap considerations in mind: X Point (kx=/a, ky=kz=0) (k dxy, dxz 1/2 antibonding dyz nonbonding 2 degenerate bands M Point (kx=ky=/a, kz=0) (k dxy, antibonding dyz, dxz 1/2 antibonding 2 degenerate bands R Point (kx=ky=kz= /a) (k dxy, dyz, dxz antibonding 3 degenerate bands y x X point Chemistry 754 - Solid State Chemistry 4 Band Structure ReO3 and MnO3230 30 O 2p M t2g M eg EF 25 *(eg) *(e W~7 eV 25 Energy (vs. O 2s) 20 *(t2g) W~5 eV 20 *(eg) *(e W~4 eV *(t2g) W~2 eV 15 15 10 10 X R M R0 3 X R...
View Full Document

{[ snackBarMessage ]}

Ask a homework question - tutors are online