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Sökning: id:"swepub:oai:DiVA.org:uu-113457" > Hybridization, supe...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00003320naa a2200457 4500
001oai:DiVA.org:uu-113457
003SwePub
008100128s2007 | |||||||||||000 ||eng|
009oai:lup.lub.lu.se:3dc0df79-b55e-4bde-8a35-071e718695a0
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-1134572 URI
0247 a https://doi.org/10.1103/PhysRevB.76.2051112 DOI
0247 a https://lup.lub.lu.se/record/9685652 URI
040 a (SwePub)uud (SwePub)lu
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
1001 a Macovez, Roberto4 aut
2451 0a Hybridization, superexchange, and competing magnetoelastic interactions in TiOBr
264 1c 2007
338 a print2 rdacarrier
520 a A crystalline sample of TiOBr is probed at room temperature by a combination of electron spectroscopies and the results are compared to theoretical embedded-cluster calculations. Resonant photoemission of the valence band confirms that the lowest binding energy feature arises from the singly occupied Ti 3d orbital. The polarization dependence of this orbital in nonresonant photoemission is consistent with the expected dominant d(y)(2)-z(2) character. The analysis of the Ti L-2,L-3 x-ray absorption spectra confirms the complete splitting of the Ti 3d shell. X-ray absorption and resonant photoemission at the O 1s edge provide direct evidence for hybridization between the transition metal orbitals and the O 2p levels, which leads to superexchange interactions between the Ti ions. The existence of a mixing of O and Ti states and of strong superexchange interactions is supported by calculations of the ground-state electronic and magnetic properties. The calculated superexchange interchain interaction is one fifth in strength of the total magnetic coupling along the chain, and is antiferromagnetic in character. This O-mediated interchain interaction is frustrated in the room temperature phase of TiOBr and thus couples strongly to distortions of the soft lattice. The competition between the interchain magnetoelastic coupling and the spin-Peierls interaction might be at the origin of the complex TiOX phase diagram.
650 7a NATURVETENSKAPx Fysik0 (SwePub)1032 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciences0 (SwePub)1032 hsv//eng
653 a Physics
653 a Fysik
7001 a Luzon, Javier4 aut
7001 a Schiessling, Joachimu Uppsala universitet,Fysiska institutionen4 aut
7001 a Sadoc, Aymeric4 aut
7001 a Kjeldgaard, Lisbethu Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory4 aut0 (Swepub:lu)maxl-lkj
7001 a van Smaalen, Sander4 aut
7001 a Fausti, Daniele4 aut
7001 a van Loosdrecht, Paul H. M.4 aut
7001 a Broer, Ria4 aut
7001 a Rudolf, Petra4 aut
7102 a Uppsala universitetb Fysiska institutionen4 org
7730 t Physical Review B. Condensed Matter and Materials Physicsg 76:20, s. 205111-q 76:20<205111-x 1098-0121x 1550-235X
8564 u http://dx.doi.org/10.1103/PhysRevB.76.205111y FULLTEXT
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-113457
8564 8u https://doi.org/10.1103/PhysRevB.76.205111
8564 8u https://lup.lub.lu.se/record/968565

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