Magnetic and magnetoelectric study of the pyroxene NaCrSi 2 O 6 Gwilherm Nénert, 1, * Ingyu Kim, 2 Masahiko Isobe, 3 Clemens Ritter, 1 Alexander N. Vasiliev, 4 Kee Hoon Kim, 2 and Yutaka Ueda 3 1 Institut Laue-Langevin, Boîte Postale 156, 38042 Grenoble Cedex 9, France 2 CeNSCMR, Department of Physics and Astronomy, Seoul National University, Seoul 151-747, Korea 3 Institute for Solid State Physics, University of Tokyo, 5-1-5 Kashiwa, Chiba 277-8581, Japan 4 Low Temperature Physics Department, Moscow State University, Moscow 119991, Russia Received 29 January 2010; revised manuscript received 16 April 2010; published 7 May 2010 We investigated the magnetic, magnetoelectric, and crystal structures of the pyroxene NaCrSi 2 O 6 by super- conducting quantum interference device SQUIDmagnetometry, electrical polarization measurement, and powder neutron diffraction. Magnetic exchange couplings extracted from magnetization measurements are found to be J intra / k b =-0.484K and J inter / k b = 0.248K. This is in perfect agreement with the antiferro- magnetic order determined below T N = 2.82K by neutron diffraction. Corroborating the determined magnetic structure magnetic symmetry C-1', the magnetic field dependence of electrical polarization evidences a clear magnetoelectric effect below T N . An induced magnetic field transition toward a ferromagnetic state magnetic symmetry C2' / c'is observed in the SQUID data and confirmed by neutron diffraction. DOI: 10.1103/PhysRevB.81.184408 PACS numbers: 75.85.+t, 75.10.Pq, 91.60.Pn, 75.25.-j I. INTRODUCTION In recent years, the coupling between magnetic and di- electric properties in transition-metal oxides gave rise to a significant research effort. 13 This effort is governed by the emergence of new fundamental physics and potential techno- logical applications. 24 Multiferroic materials exhibit simul- taneously ferromagnetic, pyroelectric, and ferroelastic properties. Contrary to multiferroic materials, magnetoelec- tric materials show an induced electrical polarization by a magnetic field. A proper understanding of the interplay be- tween the various physical properties of these two types of materials relies heavily on the knowledge of the detailed crystal and magnetic structures. Lately, three materials NaFeSi 2 O 6 , LiFeSi 2 O 6 , and LiCrSi 2 O 6 belonging to the pyroxene family have been re- ported as multiferroic materials. It has been shown that LiCrSi 2 O 6 and LiFeSi 2 O 6 are, in fact, magnetoelectric mate- rials rather than multiferroics. 5,6 Jodlauk et al. 7 suggested that several members of the py- roxene family should have an incommensurate magnetic structure. This suggestion was based on some theoretical as- sumptions and linked to the geometrical magnetic frustration present in this family. 7,8 However, for the moment it turned out that most of the pyroxenes exhibit a simple magnetic structure commensurate with the lattice with k =0. 5,6,912 Nevertheless, several of those reported magnetic structures are compatible with a linear magnetoelectric effect. 5,6,9,11 In this contribution, we continue our investigation of the crystal and magnetic structures of the pyroxene family by studying NaCrSi 2 O 6 . We have investigated its magnetic properties using superconducting quantum interference de- vice SQUIDmagnetometry and powder neutron diffraction as function of temperature and magnetic field. We show that NaCrSi 2 O 6 contrary to NaCrGe 2 O 6 exhibits an antiferromag- netic ground state characterized by a commensurate mag- netic structure defined by k = 0. Contrary to Li containing pyroxenes like LiMSi 2 O 6 M =V,Cr,FeRefs. 5, 9, and 10 the magnetic structure is described by the direct product of two irreducible representations. The associated magnetic symmetry is C-1' and allows a linear magnetoelectric effect. 13 In agreement with the determined magnetic struc- ture, the magnetic field dependence of the electrical polariza- tion evidences a clear magnetoelectric effect. We find that the magnetic moment of Cr 3+ is equal to 2.314 B at 1.8 K. Magnetic-susceptibility data are well described by a pseudo- one-dimensional Heisenberg chain of S =3 / 2 spins giving rise to an antiferromagnetic intrachain magnetic exchange coupling and a ferromagnetic interchain magnetic exchange coupling. Powder neutron diffraction at low temperature con- firms the existence of both antiferromagnetic and ferromag- netic exchange interactions. The magnetic structure is de- scribed by ferromagnetic layers coupled antiferro- magnetically while moving along the c axis. Applying magnetic field, a transition to a ferromagnetic phase charac- terized by the space group C2' / c' is induced. This field- induced magnetic symmetry is identical to the one reported for the zero-field magnetic structure of NaCrGe 2 O 6 . 12 II. EXPERIMENT Polycrystalline samples of NaCrSi 2 O 6 were prepared by a solid-state reaction with an appropriate molar ratio of Na 2 CO 3 , Cr 2 O 3 , and SiO 2 . The weighted mixtures were pressed into pellets and heated at 1273 K in air for several days with one intermediate grinding. Neutron-diffraction measurements were carried out on powder of NaCrSi 2 O 6 . The precise crystal and magnetic structures were investigated using high-resolution powder data at room temperature, 10 and 1.8 K using the D2B dif- fractometer at the ILL. The measurements were carried out at a wavelength of 1.594 Å corresponding to the 335Bragg reflection of a germanium monochromator. The neutron de- tection is performed with 3 He counting tubes spaced at 1.25° intervals. A complete diffraction pattern is obtained after 25 steps of 0.05° in 2. Additional neutron-diffraction measure- PHYSICAL REVIEW B 81, 184408 2010 1098-0121/2010/8118/1844088©2010 The American Physical Society 184408-1