HERMES, Wilfried; MATAR, Samir F.; HARMENING, Thomas; RODEWALD, Ute Ch.; EUL, Matthias; PÖTTGEN, Rainer

doi:10.1515/znb-2009-0206

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HERMES, Wilfried
Institut für Anorganische und Analytische Chemie

MATAR, Samir F.
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

HARMENING, Thomas
Institut für Anorganische und Analytische Chemie

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Zeitschrift fur Naturforschung B. 2009, vol. 64, n° 2, p. 175-183

Verlag der Zeitschrift Fuer Naturforschung

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The stannide CeZnSn was obtained in X-ray-pure form by induction-melting of the elements in a sealed tantalum ampoule. CeZnSn crystallizes with the YPtAs-type structure, space groupP63/mmc,a= 456.7(3),c= 1673.8(5) pm,wR2 = 0.0862, 259F2values, and 12 variables. The zinc and tin atoms build up puckered Zn3Sn3hexagons (Zn–Sn 271 pm) with weak interlayer Zn–Zn interactions(323 pm). Susceptibility measurements of CeZnSn reveal modified Curie-Weiss behavior above 50 Kwith an experimental magnetic moment of 2.77(1)μB/ Ce atom. The cerium magnetic moments order ferromagnetically atTC=5.2(1)K.119Sn Mössbauer spectra show a single tin site at an isomer shift ofδ= 1.967(4) mm/s subjected to a small quadrupole splitting of ∆EQ= 0.41(2) mm/s at 40 K. At 4.2 K a magnetic hyperfine field of 0.872(5) T is transferred to the tin site. From DFT scalar relativistic calculations of the electronic and magnetic structures, chemical bonding analysis reveals on one hand a weaker bonding of Zn than of Sn with the cerium substructures with a twice strongerCe1–Sn bond compared to Ce2–Sn. On the other hand, a ferromagnetic ground state is identified from total energy differences in agreement with experiment< Réduire

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Intermetallics

Stannide

Crystal Chemistry

Chemical Bonding (COOP)

DFT

Spin Polarized Calculations

DOS

ELF

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Ferromagnetic Ordering in CeZnSn

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