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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
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000166168 1001_ $$0P:(DE-H253)PIP1014098$$aBykov, Maxim$$b0
000166168 245__ $$aSpin-Peierls distortions in $TiPO_{4}$
000166168 260__ $$aCollege Park, Md.$$bAPS$$c2013
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000166168 520__ $$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.
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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$$aReuvekamp, P. G.$$b9
000166168 7001_ $$0P:(DE-HGF)0$$aLaw, J. M.$$b10
000166168 7001_ $$0P:(DE-HGF)0$$aHoch, C.$$b11
000166168 7001_ $$0P:(DE-HGF)0$$aKremer, R. K.$$b12
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