perovskites_lect24

O 2s 15 15 10 10 x r m r o 2p mn 3d t2g mn 3d eg x r

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Unformatted text preview: State Chemistry 6 3d TM Oxide Perovskites Compound SrTiO3 (d0) SrVO3 (d ) SrCrO3 (d ) CaMnO3 (d ) SrFeO3 (d4) 3 2 1 Electron Config. *0*0 *1 *0 Electrical Properties Semiconductor Metallic Metallic Magnetic Properties Diamagnetic Pauli Paramagnetic Pauli Paramagnetic *2*0 t2g3*0 t2g3*1 Semiconductor Antiferromagnetic TN = 110 K Spiral AFM Metallic TN ~ 130 K *, * implies delocalized electrons t2g, eg implies localized electrons Chemistry 754 - Solid State Chemistry SrFeO3-The Edge of Instability eg t2g eg t2g EF eg(*) t2g(*) eg(*) t2g(*) DOS Fe4+ Fe4+ Cubic Structure No Jahn-Teller Distortion JahnAll Fe atoms equivalent Localized t2g electrons Delocalized eg electrons Metallic to at least 4 K Chemistry 754 - Solid State Chemistry 7 Cubic Band Structure Calculations CaMnO3 (a = 3.81 A) SrFeO3 (a = 3.86 A) LaMnO3 (a = 4.03 A) 20 20 20 Energy (vs. O 2s) 15 15 15 10 10 10 X R M R X R M k k Chemistry 754 - Solid State Chemistry k R X R M R LaMnO3-Cooperative Jahn Teller Dist. Fe(Mn)...
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