PHYSICAL REVIEW B 85, 144119 (2012) Electron paramagnetic resonance study of Eu 2+ centers in melt-grown CsBr single crystals H. Vrielinck, 1,* D. G. Zverev, 1,2 P. Leblans, 3 J. P. Tahon, 3 P. Matthys, 1 and F. Callens 1 1 Ghent University, Department of Solid State Sciences, Krijgslaan 281-S1, B-9000 Gent, Belgium 2 Max Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany 3 Agfa-HealthCare NV, Septestraat 27, B-2640 Mortsel, Belgium (Received 18 January 2012; published 27 April 2012) The structure of Eu 2+ monomer centers in CsBr single crystals is investigated using electron paramagnetic resonance (EPR) spectroscopy. These centers are produced by heating the melt-grown crystals above 600 K in vacuum followed by a rapid quench to room temperature (RT) or 77 K. The angular dependence of their EPR spectrum demonstrates that these centers have cubic symmetry. At RT the EPR spectrum decays by aggregation of the Eu 2+ ions. This strongly contrasts with the situation for CsBr:Eu needle image plates synthesized by physical vapor deposition, where the Eu 2+ -related EPR spectrum was observed to exhibit long-term stability at RT. DOI: 10.1103/PhysRevB.85.144119 PACS number(s): 78.60.Lc, 76.30.Kg, 87.59.bd I. INTRODUCTION It is well known that in alkali halides (AX) many divalent cations (M 2+ ) aggregate at ambient temperature; these include Pb 2+ , 1,2 the transition metal ions Mn 2+ 3,4 and Fe 2+ , 5 and the rare-earth ions Sm 2+ , Eu 2+ , and Yb 2+ . 6,7 Very often, these divalent ions have a cation vacancy (V A ) in their direct vicinity which preserves charge compensation. Attraction between the electric dipoles M 2+ A –V A is considered to be the driving force for the aggregation, while vacancies assure the mobility of the impurity ions. In many cases, the initial decay kinetics of the dipole monomer centers were observed to be of third order, suggesting the formation of M 2+ A –V A trimers as a first step in the aggregation process. 3,7 Direct trimer formation seems very unlikely, in view of the low probability of coincidence for three M 2+ A –V A dipoles. However, Crawford demonstrated that a monomer dipole decay proportional to the third power of the monomer concentration is observed if trimers are formed by capture of dipole monomers by dimers, in which the monomers exhibit low binding energy. 8 For many M 2+ impurity–AX host combinations the location of the V A could be determined from the symmetry of the defect, as established from angular dependent electron paramagnetic resonance (EPR) studies on single crystals. Such experiments demonstrated that several vacancy configurations may coexist and that charge compen- sation of divalent substitutional impurities in alkali halides is not necessarily local (see, e.g., also Rh 2+ in NaCl 9,10 and AgCl 11 ). Among these systems, CsBr:Eu has regained interest in the past decade. Since the late 1990s research efforts have been directed toward the development of a CsBr:Eu 2+ based x-ray storage phosphor for medical image plates (IPs) in computer radiography that would solve the resolution problems of the BaFBr:Eu 2+ powder IPs, while maintaining high sensitivity. It was found that thermal evaporation of CsBr:Eu 2+ on an Al substrate may result in oriented needle growth [needle image plate (NIP)], with needles only a few μm in diameter and up to several 100 μm in length, matching resolution and sensitivity requirements. 1214 This in itself is quite remarkable, as melt-grown Eu 2+ doped single crystals perform rather poorly as photo-stimulated luminescence (PSL) phosphors. Our EPR investigation of NIPs demonstrated that they exhibit a Eu 2+ -related spectrum which can be detected at room tempera- ture (RT), and whose intensity is correlated with the sensitivity of the plate. 15,16 While at RT the spectrum can be interpreted as being due to a single type of Eu 2+ center with axial symmetry around a 100axis, below 20 K the spectrum exhibits two contributions due to axial and orthorhombic centers, occurring in a fixed ratio. 17 A detailed electron nuclear double resonance (ENDOR) study revealed the presence of a H 2 O (or OH ) molecule in the close vicinity of the Eu 2+ ion, and a model was proposed in which a cesium vacancy (V Cs ) accounted for the occurrence of two distinct centers at low temperature in a fixed ratio (immobile V Cs ), while only one type of center is observed at high temperature (V Cs bound to the complex, but free to move around it). 18 Like the PSL properties, also the EPR spectra of NIPs and melt-grown single crystals of CsBr:Eu differ substantially. In previous reports, no Eu 2+ -related EPR spectra had been detected in as-grown single crystals, 19 which was attributed to the aggregation of Eu 2+ ions in CsBr forming diamagnetic pairs or larger clusters. Even earlier, Savel’ev et al. 7 had shown that Eu 2+ ions in CsBr qualitatively exhibit the same behavior as in the rocksalt-type alkali halides: an EPR spectrum exhibiting a hyperfine structure typical for a natural abundant mixture of 151 Eu/ 153 Eu is produced after quenching the crystals from T> 600 K to 77 K, but it decays at RT following third-order kinetics in the early stage. Hence the isolated Eu 2+ centers were assumed to be Eu 2+ -V Cs dipoles, although, unlike for the centers with a near- est neighbor V A in the NaCl-type lattices, 6 no angular depen- dent EPR spectra were presented specifying the position of the vacancy. This paper is devoted to a study of the angular dependence of the EPR spectrum of these quenched-in Eu 2+ centers in CsBr crystals. It is further organized as follows. In Sec. III A the EPR spectrum of isolated Eu 2+ centers in CsBr single crystals is introduced and its limited stability at RT is examined, while in Sec. III B the symmetry of the center is determined, resulting in a defect model. The implications for the aggregation mechanism for the Eu 2+ ions is discussed in Sec. IV. Sections II and V present experimental details and conclusions, respectively. 144119-1 1098-0121/2012/85(14)/144119(7) ©2012 American Physical Society