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000872530 1001_ $$0P:(DE-HGF)0$$aGuo, H.$$b0
000872530 245__ $$aMultiferroic properties of melanothallite Cu 2 OCl 2
000872530 260__ $$aCollege Park, MD$$bAPS$$c2019
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000872530 520__ $$aHere we report on P−E hysteresis loop measurements that unravel the ferroelectric nature of melanothallite Cu2OCl2, a new multiferroic material with high critical temperature. Its spin structure was investigated by polarized and unpolarized neutron scattering experiments which reveal a cycloidal magnetic structure with vector chirality (magnetic polarity) that can be inverted by opposite poling of the sample with an inverted electric field. This shows that Cu2OCl2 is a spin-induced ferroelectric material. Finally, we show that the ferroelectric properties of Cu2OCl2 are driven by the inverse Dzyaloshinskii-Moriya interaction mechanism which is also able to predict the observed direction of the ferroelectric polarization properly. The origin of the noncollinear spin structure in melanothallite are competing AFM-FM exchange couplings which we estimate from a combined ab initio + cluster configuration interaction calculation.
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000872530 7001_ $$0P:(DE-HGF)0$$aZhao, L.$$b1
000872530 7001_ $$0P:(DE-Juel1)130944$$aSchmidt, W.$$b2
000872530 7001_ $$0P:(DE-HGF)0$$aFernández-Díaz, M. T.$$b3
000872530 7001_ $$0P:(DE-HGF)0$$aBecker, Ch.$$b4
000872530 7001_ $$0P:(DE-HGF)0$$aMelendez-Sans, A.$$b5
000872530 7001_ $$0P:(DE-HGF)0$$aPeng, W.$$b6
000872530 7001_ $$0P:(DE-HGF)0$$aZbiri, M.$$b7
000872530 7001_ $$0P:(DE-HGF)0$$aHansmann, P.$$b8
000872530 7001_ $$0P:(DE-HGF)0$$aKomarek, A. C.$$b9$$eCorresponding author
000872530 773__ $$0PERI:(DE-600)2898355-5$$a10.1103/PhysRevMaterials.3.124405$$gVol. 3, no. 12, p. 124405$$n12$$p124405$$tPhysical review materials$$v3$$x2475-9953$$y2019
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