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Title: K{sub 2}Fe{sub 2}B{sub 2}O{sub 7}: A transparent nonlinear optical crystal with frustrated magnetism

A new noncentrosymmetric ferroborate crystal, K{sub 2}Fe{sub 2}B{sub 2}O{sub 7}, has been grown from high temperature melt. Structure solution from single crystal X-ray diffraction shows that the title compound crystallizes in a trigonal space group P321 with cell dimensions of a=8.7475(12) A and c=8.5124(17) A. In the structure, FeO{sub 4} tetrahedron shares its three basal oxygen atoms with BO{sub 3} triangles forming a two-dimensional layer in the ab plane and the layers are connected by the apical Fe-O bonds along the c direction. The crystal is transparent in the visible and near infrared region from 500 to 2000 nm with three pronounced absorption bands ascribed to d-d transitions of tetrahedrally coordinated Fe{sup 3+} ions. Though, structurally analog to K{sub 2}Al{sub 2}B{sub 2}O{sub 7}, the further twisting of the BO{sub 3} groups between adjacent layers reduces its optical nonlinearity to a second-harmonic generation intensity of about 0.4 times that of KDP. Spin-glass behavior is observed at 20 K which is probably due to geometrically magnetic frustration of the triangular Fe net in the ab plane. - Graphical abstract: Single crystal of a new ferroborate K{sub 2}Fe{sub 2}B{sub 2}O{sub 7}, space group P321, a=8.7475(3) A, c=8.5124(3) A, was obtained and characterized. Itmore » exhibits considerable SHG efficiency and frustrated magnetism originated from the triangular Fe net in the ab plane.« less
Authors:
 [1] ;  [2] ;  [1]
  1. Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)
  2. (China)
Publication Date:
OSTI Identifier:
21421504
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 183; Journal Issue: 6; Other Information: DOI: 10.1016/j.jssc.2010.03.037; PII: S0022-4596(10)00127-1; Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABSORPTION; BORATES; HARMONIC GENERATION; IRON COMPOUNDS; IRON IONS; LATTICE PARAMETERS; LAYERS; MAGNETISM; MONOCRYSTALS; POTASSIUM COMPOUNDS; SOLUTIONS; SPACE GROUPS; SPIN GLASS STATE; TRIGONAL LATTICES; X-RAY DIFFRACTION ALKALI METAL COMPOUNDS; BORON COMPOUNDS; CHARGED PARTICLES; COHERENT SCATTERING; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CRYSTALS; DIFFRACTION; DISPERSIONS; FREQUENCY MIXING; HOMOGENEOUS MIXTURES; IONS; MIXTURES; OXYGEN COMPOUNDS; SCATTERING; SORPTION; SYMMETRY GROUPS; TRANSITION ELEMENT COMPOUNDS