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Volumn 81, Issue 18, 2010, Pages

Orbital-weight redistribution triggered by spin order in the pnictides

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EID: 77955456273     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.180514     Document Type: Article
Times cited : (64)

References (32)
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    • Not only is the intraorbital hopping in the x direction smaller for yz than for xz but also the substantial interorbital hopping connecting the yz (xz ) orbitals to xy is 0 along x (y) for symmetry reasons (Ref.)
    • Not only is the intraorbital hopping in the x direction smaller for y z than for x z but also the substantial interorbital hopping connecting the y z (x z) orbitals to x y is 0 along x (y) for symmetry reasons (Ref.).
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    • Since our mean-field approach breaks the orbital symmetry by neglecting the "pair-hopping" and spin-flip terms of the onsite interaction, we have to check that the yz electron pocket's predominant interaction with the yz parts of the hole pockets is not an artifact of the approximation. We perform the mean-field calculation in a rotated basis with orbitals |a〉 =cosα | xz 〉 +sinα | yz 〉 and |b〉 =-sinα | xz 〉 +cosα | yz 〉 (Ref.) and find that (i) the energy is minimal for the original α=0 and that (ii) myz > mxz persists for α≠0
    • Since our mean-field approach breaks the orbital symmetry by neglecting the "pair-hopping" and spin-flip terms of the onsite interaction, we have to check that the y z electron pocket's predominant interaction with the y z parts of the hole pockets is not an artifact of the approximation. We perform the mean-field calculation in a rotated basis with orbitals | a 〉 = cos α | x z 〉 + sin α | y z 〉 and | b 〉 = - sin α | x z 〉 + cos α | y z 〉 (Ref.) and find that (i) the energy is minimal for the original α = 0 and that (ii) m y z > m x z persists for α≠0.
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    • For the intermediate- U regime with small ordered moment, the (π,0 ) phase has actually slightly higher energy than a (π,π ) -AF phase with large ordered moment but since the five-band model is widely used by several authors, we are nevertheless going to discuss its properties under the assumption of (π,0 ) order
    • For the intermediate- U regime with small ordered moment, the (π, 0) phase has actually slightly higher energy than a (π, π) -AF phase with large ordered moment but since the five-band model is widely used by several authors, we are nevertheless going to discuss its properties under the assumption of (π, 0) order.


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