Journal Article

DESY-2014-01098

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Spin-Peierls distortions in $TiPO_{4}$

Bykov, M.Extern* ; Zhang, J.Extern* ; Schönleber, A.Extern* ; Wölfel, A.Extern* ; Ali, S. I. ; van Smaalen, S. (Corresponding author)Extern* ; Glaum, R. ; Koo, H.-J. ; Whangbo, M.-H. ; Reuvekamp, P. G. ; Law, J. M. ; Hoch, C. ; Kremer, R. K.

2013
APS College Park, Md.

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Please use a persistent id in citations: doi:10.1103/PhysRevB.88.184420

Abstract: On the basis of single-crystal x-ray diffraction we show that TiPO4 undergoes a spin-Peierls distortion below 74.5(5) K, with a dimerization of the Ti chains along the c axis. Between 74.5(5) and 111.6(3) K, TiPO4 develops an incommensurate (IC) phase with temperature-dependent q vector (σ1,0,0). Density functional calculations strongly suggest that the IC phase results from a frustration of the lock-in spin-Peierls transition due to the competition of three energetically almost degenerate crystal structures and elastic coupling of the Ti chains via the bridging PO4 units. The phase transition into the IC phase is of second order, but the lock-in transition into the spin-Peierls distortion below 74.5 K is of weak first order in nature.

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Contributing Institute(s):

1. DOOR-User (DOOR)

Research Program(s):

1. DORIS Beamline D3 (POF2-54G13) (POF2-54G13)

Experiment(s):

1. DORIS Beamline D3 (DORIS III)

Appears in the scientific report 2013

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Database coverage:
; ; ; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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