skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Structural, electronic and magnetic properties of layered REB{sub 2}C compounds (RE=Dy, Tm, Lu)

Abstract

The crystal structure of LuB{sub 2}C has been determined from single crystal and powder X-ray diffraction data. It crystallizes in the orthorhombic space group Pbam (a=6.7429(1) A, b=6.7341(1) A, c=3.5890(1) A, Z=4, R1=0.024 (wR2=0.059) for 436 reflections with I{sub o}>2{sigma}(I{sub o})). The compounds REB{sub 2}C (RE=Y, Tb-Lu) are isotypic. The boron and carbon atoms form infinite, planar two-dimensional nets which alternate with sheets of rare-earth metal atoms. Inside the nonmetal atom nets, a coloring with fused B{sub 2}C{sub 2} rhombuses and B{sub 5}C{sub 2} heptagons is proposed, supported by NMR experiments and density functional theory calculations. The calculated density of states of LuB{sub 2}C indicates this compound to be metallic. The magnetic properties of the isotypic compound TmB{sub 2}C, has been measured in the temperature range 2 K3 T a metamagnetic transition is encountered. The temperature dependence of the electrical resistivity proves the metallic character of the TmB{sub 2}C compound as well as the AFM ordering. - Graphical abstract: The crystal structure of LuB{sub 2}C has been determined from single crystal and powder X-ray diffraction data. It crystallizes in the orthorhombic space group Pbam. The compounds REB{sub 2}C (RE=Y, Tb-Lu) are isotypic. The boron and carbon atoms form infinite, planarmore » two-dimensional nets which alternate with sheets of rare-earth metal atoms. Inside the nonmetal atom nets, a coloring with fused B{sub 2}C{sub 2} rhombuses and B{sub 5}C{sub 2} heptagons is proposed, supported by NMR experiments and density functional theory calculations. The magnetic properties of the isotypic compound TmB{sub 2}C, has been measured in the temperature range 2 K3 T a metamagnetic transition is encountered. The temperature dependence of the electrical resistivity proves the metallic character of the TmB{sub 2}C compound as well as the AFM ordering. Highlights: Black-Right-Pointing-Pointer LuB{sub 2}C compound crystallizes in orthorhombic symmetry. Black-Right-Pointing-Pointer In the structure the B{sub 2}C layers are stacked directly on top of each other. Black-Right-Pointing-Pointer A coloring with fused B{sub 2}C{sub 2} rhombuses and B{sub 5}C{sub 2} heptagons is proposed. Black-Right-Pointing-Pointer The coloring is supported by NMR experiments and theoretical calculations. Black-Right-Pointing-Pointer TmB{sub 2}C undergoes an antiferromagnetic transition at T{sub N}=12 K at elevated fields.« less

Authors:
 [1]; ;  [1];  [2];  [3];  [3];  [3]
  1. Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, D-70569 Stuttgart (Germany)
  2. Arbeitsgruppe Neue Materialien, Universitaet Wien, Waehringerstrasse 42, A-1090 Wien (Austria)
  3. Sciences Chimiques de Rennes, UMR 6226 CNRS, Ecole Nationale Superieure de Chimie de Rennes, Universite de Rennes 1, Avenue du General Leclerc, F-35042 Rennes Cedex (France)
Publication Date:
OSTI Identifier:
22012180
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: . 191; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANTIFERROMAGNETISM; ATOMIC FORCE MICROSCOPY; CARBIDES; CARBON; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; LAYERS; MAGNETIC PROPERTIES; MONOCRYSTALS; NUCLEAR MAGNETIC RESONANCE; ORTHORHOMBIC LATTICES; POWDERS; RARE EARTHS; SPACE GROUPS; SYMMETRY; TEMPERATURE DEPENDENCE; X-RAY DIFFRACTION

Citation Formats

Babizhetskyy, Volodymyr, Department of Inorganic Chemistry, Ivan Franko National University of L'viv, Kyryla and Mefodiya Str. 6, UA-79005 Lviv, Simon, Arndt, Hoch, Constantin, Hiebl, Kurt, Le Polles, Laurent, Gautier, Regis, and Halet, Jean-Francois. Structural, electronic and magnetic properties of layered REB{sub 2}C compounds (RE=Dy, Tm, Lu). United States: N. p., 2012. Web. doi:10.1016/J.JSSC.2012.02.062.
Babizhetskyy, Volodymyr, Department of Inorganic Chemistry, Ivan Franko National University of L'viv, Kyryla and Mefodiya Str. 6, UA-79005 Lviv, Simon, Arndt, Hoch, Constantin, Hiebl, Kurt, Le Polles, Laurent, Gautier, Regis, & Halet, Jean-Francois. Structural, electronic and magnetic properties of layered REB{sub 2}C compounds (RE=Dy, Tm, Lu). United States. https://doi.org/10.1016/J.JSSC.2012.02.062
Babizhetskyy, Volodymyr, Department of Inorganic Chemistry, Ivan Franko National University of L'viv, Kyryla and Mefodiya Str. 6, UA-79005 Lviv, Simon, Arndt, Hoch, Constantin, Hiebl, Kurt, Le Polles, Laurent, Gautier, Regis, and Halet, Jean-Francois. Sun . "Structural, electronic and magnetic properties of layered REB{sub 2}C compounds (RE=Dy, Tm, Lu)". United States. https://doi.org/10.1016/J.JSSC.2012.02.062.
@article{osti_22012180,
title = {Structural, electronic and magnetic properties of layered REB{sub 2}C compounds (RE=Dy, Tm, Lu)},
author = {Babizhetskyy, Volodymyr and Department of Inorganic Chemistry, Ivan Franko National University of L'viv, Kyryla and Mefodiya Str. 6, UA-79005 Lviv and Simon, Arndt and Hoch, Constantin and Hiebl, Kurt and Le Polles, Laurent and Gautier, Regis and Halet, Jean-Francois},
abstractNote = {The crystal structure of LuB{sub 2}C has been determined from single crystal and powder X-ray diffraction data. It crystallizes in the orthorhombic space group Pbam (a=6.7429(1) A, b=6.7341(1) A, c=3.5890(1) A, Z=4, R1=0.024 (wR2=0.059) for 436 reflections with I{sub o}>2{sigma}(I{sub o})). The compounds REB{sub 2}C (RE=Y, Tb-Lu) are isotypic. The boron and carbon atoms form infinite, planar two-dimensional nets which alternate with sheets of rare-earth metal atoms. Inside the nonmetal atom nets, a coloring with fused B{sub 2}C{sub 2} rhombuses and B{sub 5}C{sub 2} heptagons is proposed, supported by NMR experiments and density functional theory calculations. The calculated density of states of LuB{sub 2}C indicates this compound to be metallic. The magnetic properties of the isotypic compound TmB{sub 2}C, has been measured in the temperature range 2 K3 T a metamagnetic transition is encountered. The temperature dependence of the electrical resistivity proves the metallic character of the TmB{sub 2}C compound as well as the AFM ordering. - Graphical abstract: The crystal structure of LuB{sub 2}C has been determined from single crystal and powder X-ray diffraction data. It crystallizes in the orthorhombic space group Pbam. The compounds REB{sub 2}C (RE=Y, Tb-Lu) are isotypic. The boron and carbon atoms form infinite, planar two-dimensional nets which alternate with sheets of rare-earth metal atoms. Inside the nonmetal atom nets, a coloring with fused B{sub 2}C{sub 2} rhombuses and B{sub 5}C{sub 2} heptagons is proposed, supported by NMR experiments and density functional theory calculations. The magnetic properties of the isotypic compound TmB{sub 2}C, has been measured in the temperature range 2 K3 T a metamagnetic transition is encountered. The temperature dependence of the electrical resistivity proves the metallic character of the TmB{sub 2}C compound as well as the AFM ordering. Highlights: Black-Right-Pointing-Pointer LuB{sub 2}C compound crystallizes in orthorhombic symmetry. Black-Right-Pointing-Pointer In the structure the B{sub 2}C layers are stacked directly on top of each other. Black-Right-Pointing-Pointer A coloring with fused B{sub 2}C{sub 2} rhombuses and B{sub 5}C{sub 2} heptagons is proposed. Black-Right-Pointing-Pointer The coloring is supported by NMR experiments and theoretical calculations. Black-Right-Pointing-Pointer TmB{sub 2}C undergoes an antiferromagnetic transition at T{sub N}=12 K at elevated fields.},
doi = {10.1016/J.JSSC.2012.02.062},
url = {https://www.osti.gov/biblio/22012180}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = . 191,
place = {United States},
year = {2012},
month = {7}
}