perovskites_lect24

Chemistry 3 orbital overlap and bands overlap m d t2g

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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...
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This note was uploaded on 06/11/2011 for the course CHEM 101 taught by Professor Stegemiller during the Spring '07 term at Ohio State.

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