The Energy Spectrum of Single-Hole States in Transition Metal Oxides

Lehmann-Szweykowska, A.; Wojciechowski, Ryszard; Gehring, G. A.

doi:10.12693/aphyspola.97.563

Cited by 3 publications

(3 citation statements)

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“…Mutual oxygen sites occur only for clusters belonging to different orbits: a and d . So, it seems that each pair space can be considered as a set of well-separated hybridizing clusters [7], and there arises a question of how the charge can move between them. It can be shown that compensating holes can be transferred between clusters of the same type due to the direct p-p hopping (see the next section), whereas the transport between neighbouring a-sublattice and d-sublattice clusters can be mediated solely by the p-d hybridization.…”

Section: The Space-group Theory Approach To the Problem Of The P-d Hy...mentioning

confidence: 99%

“…The symmetry analysis of the two important processes which probably occur in both pure and doped yttrium-iron garnets clearly suggests possible microscopic mechanisms for the charge transportation. It seems that the complex specific geometry of garnets is responsible for the fact that both p-d hybridization and direct p-p hopping are limited in their influence to small-sized clusters of neighbours [5][6][7].…”

Section: The Final Conclusionmentioning

confidence: 99%

“…It is well established that the electronic structure of yttrium-iron garnets has not been calculated with any standard band-structure theory. For a deeper interpretation of many fascinating properties of these materials, it seems, therefore, indispensable to clarify the microscopic role of the hybridization between the 3d states of iron and 2p states of oxygen, and also that of the direct inter-ion p-p hopping [5][6][7].…”

Section: Introductionmentioning

confidence: 99%

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A space-symmetry approach to the p-d hybridization and direct p-p hopping in yttrium-iron garnets

Lehmann-Szweykowska

Lulek

Kaczmarek

2001

J. Phys.: Condens. Matter

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The first thorough symmetry analysis of the p-d hybridization and p-p hopping is performed for yttrium-iron garnets. Group-theoretical calculations of spin-independent p-d hybridization and p-p transfer-matrix elements allow us to determine symmetry-adapted `channels' in the crystal unit cell. The results clearly indicate what role is played by each of the interactions in a possible charge transportation. The p-d hybridization turns out to be restricted to the small-sized octahedral and tetrahedral clusters of iron-oxygen neighbours; which results from the specific complex geometry of garnets. A propagation between the hybridizing clusters of the same type is realized by the p-p hopping to the second neighbours. The p-p hopping itself is shown to be restricted to small-sized oxygen clusters. Moreover, the second-neighbour p-p hopping between octahedral hybridizing clusters shows a strong anisotropy along the ⟨111⟩ axis. The p-p hopping between the nearest neighbours appears less important. An inter-sublattice charge motion may be mediated solely by the p-d hybridization since the nearest-neighbour hybridizing clusters share a common oxygen.

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Section: The Space-group Theory Approach To the Problem Of The P-d Hy...mentioning

confidence: 99%

Section: The Final Conclusionmentioning

confidence: 99%