000166168 001__ 166168 000166168 005__ 20250730152108.0 000166168 0247_ $$2doi$$a10.1103/PhysRevB.88.184420 000166168 0247_ $$2ISSN$$a0163-1829 000166168 0247_ $$2ISSN$$a1095-3795 000166168 0247_ $$2ISSN$$a1550-235X 000166168 0247_ $$2ISSN$$a0556-2805 000166168 0247_ $$2ISSN$$a1098-0121 000166168 0247_ $$2WOS$$aWOS:000327154300006 000166168 0247_ $$2openalex$$aopenalex:W1990710704 000166168 037__ $$aDESY-2014-01098 000166168 041__ $$aEnglish 000166168 082__ $$a530 000166168 1001_ $$0P:(DE-H253)PIP1014098$$aBykov, Maxim$$b0 000166168 245__ $$aSpin-Peierls distortions in $TiPO_{4}$ 000166168 260__ $$aCollege Park, Md.$$bAPS$$c2013 000166168 3367_ $$00$$2EndNote$$aJournal Article 000166168 3367_ $$2DRIVER$$aarticle 000166168 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1445341944_20779 000166168 3367_ $$2BibTeX$$aARTICLE 000166168 520__ $$aOn 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. 000166168 536__ $$0G:(DE-H253)POF2-D3-20130405$$aDORIS Beamline D3 (POF2-54G13)$$cPOF2-54G13$$fPOF II$$x0 000166168 542__ $$2Crossref$$i2013-11-19$$uhttp://link.aps.org/licenses/aps-default-license 000166168 588__ $$aDataset connected to CrossRef, bib-pubdb1.desy.de 000166168 693__ $$0EXP:(DE-H253)D-D3-20150101$$1EXP:(DE-H253)DORISIII-20150101$$6EXP:(DE-H253)D-D3-20150101$$aDORIS III$$fDORIS Beamline D3$$x0 000166168 7001_ $$0P:(DE-H253)PIP1020413$$aZhang, Jian$$b1 000166168 7001_ $$0P:(DE-H253)PIP1008632$$aSchönleber, Andreas$$b2 000166168 7001_ $$0P:(DE-H253)PIP1008710$$aWölfel, Alexander$$b3 000166168 7001_ $$0P:(DE-HGF)0$$aAli, Sk Imran$$b4 000166168 7001_ $$0P:(DE-H253)PIP1008136$$avan Smaalen, Sander$$b5$$eCorresponding author 000166168 7001_ $$0P:(DE-HGF)0$$aGlaum, R.$$b6 000166168 7001_ $$0P:(DE-HGF)0$$aKoo, H.-J.$$b7 000166168 7001_ $$0P:(DE-HGF)0$$aWhangbo, M.-H.$$b8 000166168 7001_ $$0P:(DE-HGF)0$$aReuvekamp, P. 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