Pressure- and photoinduced transformation into a metastable phase in RbMnFeCN 6 Y. Moritomo and M. Hanawa Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan and PRESTO, JST Y. Ohishi, K. Kato, and M. Takata SPring-8/JASRI, Hyogo 679-5198, Japan A. Kuriki Department of Crystalline Materials Science, Nagoya University, Nagoya 464-8603, Japan E. Nishibori and M. Sakata Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan S. Ohkoshi, H. Tokoro, and K. Hashimoto Research Center for Advanced Science and Technology, University of Tokyo, Tokyo153-8904, Japan Received 25 February 2003; revised manuscript received 14 May 2003; published 15 October 2003 Pressure and photoirradiation effects on the structural properties were investigated for a transition metal cyanide, RbMnFe(CN) 6 , with perovskitelike structure by means of high-angle resolved synchrotron- radiation x-ray powder diffraction. We have found that 1photoirradiation by a 532-nm pulse laser at 91 K and 2application of hydrostatic pressure to about 2 GPa at 300 K change the system from the tetragonal low-temperature phase ( I 4 ¯ m2; Z =2) to a metastable state with different crystal symmetry ( P 4 ¯ n 2; Z =2). We discuss the difference between the photoinduced and pressure-induced processes and suggest possible origin for the photoinduced demagnetization. DOI: 10.1103/PhysRevB.68.144106 PACS numbers: 64.60.My, 61.50.Ks I. INTRODUCTION Transition-metal cyanides the so-called Prussian-blue compounds, A (I) M (II) N (III)( CN ) 6 ( A =Na, K, Rb, Cs; N =Mn, Co, Cr; M =Fe, Cr, 1–9 have been attracting re- newed interest of materials scientists, because they show a photoinduced magnetization/demagnetization. For example, Sato et al. 3 reported the enhancement of magnetization in K 0.2 Co 1.4 Fe(CN) 6 6.9H 2 O by irradiation of a red light 660 nmat 5 K and suppression of magnetization by irradiation of a blue light 450 nmat 5 K. This photoinduced magne- tism has been ascribed to the photoinduced structural change into some metastable state and the resultant variation of the electronic configuration of the transition metals. Then, deter- mination of the crystal structure, including atomic coordi- nates, is indispensable for a deeper comprehension of the photoinduced phenomena as well as their practical application. The Prussian-blue compounds are well known from the earliest times. Nevertheless, except for Fe 4 Fe(CN) 6 3 15H 2 O, 10 difficulty in crystal growth has pre- vented detailed structural investigations of these compounds. In addition, the compounds contain considerable nonsto- ichiometric H 2 O molecules, which makes the precise struc- tural analysis difficult. Recently, Ohkoshi et al. 11 synthesized a Mn-Fe compound, RbMnFe(CN) 6 , which does not con- tain extra H 2 O molecules. Neutron powder-diffraction experiment 12 revealed that RbMnFe(CN) 6 is ferromag- netic below T C =12 K, where the local spin moments are taken only by the high-spin HSMn 2 + ( S =2) ions. Fur- thermore, Tokoro et al. 13 observed suppression of magneti- zation by irradiation of a visible pulse laser 532 nmat 3 K. Therefore, RbMnFe(CN) 6 is one of the most suitable com- pounds for detailed structural investigation to reveal the ori- gin for the photoinduced demagnetization. At room temperature, RbMnFe(CN) 6 is face-centered cubic ( F 4 ¯ 3 m : Z =4). 11,14 Reflecting the stability of the HS Mn 2 + state, the valence state is HS Mn 2 + ( d 5 ; S =5/2) –low-spin LSFe 3 + ( d 5 ; S =1/2). 11 With decrease of temperature below 220 K, however, a structural transition from the cubic phase to the body-centered tetragonal ( I 4 ¯ m 2; Z =2) phase takes place, accompanying the Jahn-Teller type distortion of the MnN 6 octahedra. Therefore, the cubic-to- tetragonal structural transition is considered to be driven by charge transfer 14 from the Mn 2 + site to the Fe 3 + site. Con- sistently, Osawa et al. 15 proposed that the low-temperature valence state is HS Mn 3 + ( d 4 ; S =2)–LS Fe 2 + ( d 6 ; S =0), based on their x-ray emission and absorption spectra. Hereafter, we denote the high-temperature cubic phase ( F 4 ¯ 3 m ; Z =4) and the low-temperature tetragonal phase ( I 4 ¯ m 2; Z =2) as HT and LT phases, respectively. In this paper, we report the crystal structure of a thermally quenched metastable state of RbMnFe(CN) 6 determined by synchrotron-radiation x-ray powder diffraction XRD. The metastable state belongs to the tetragonal space group ( P 4 ¯ n 2; Z =2), which is different from those of the HT phase and the LT phase. In the metastable phase, the ligand CN - ions approach the Mn site accompanied by the tilting of the in-plane ions along the c direction. We further found that PHYSICAL REVIEW B 68, 144106 2003 0163-1829/2003/6814/1441067/$20.00 ©2003 The American Physical Society 68 144106-1