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Pressure‐induced Oxidation State Change of Ytterbium in YbGa 2
Author(s) -
Schwarz U.,
Giedigkeit R.,
Niewa R.,
Schmidt M.,
Schnelle W.,
Cardoso R.,
Hanfland M.,
Hu Z.,
Klementiev K.,
Grin Yu.
Publication year - 2001
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/1521-3749(200109)627:9<2249::aid-zaac2249>3.0.co;2-m
Subject(s) - ytterbium , xanes , crystal structure , chemistry , crystallography , ambient pressure , single crystal , gallium , diffraction , oxidation state , x ray crystallography , materials science , doping , metal , physics , spectroscopy , thermodynamics , optics , optoelectronics , organic chemistry , quantum mechanics
The crystal structure and the electronic properties of YbGa 2 realising a CaIn 2 type atomic arrangement were characterised at ambient conditions using single crystal X‐ray diffraction data and magnetic susceptibility measurements at ambient pressure. Pressure‐induced changes of structural and electronic properties of YbGa 2 were measured by means of angle‐dispersive X‐ray powder diffraction and XANES at the Yb L III threshold. At pressures above 22(2) GPa, YbGa 2 undergoes a structural phase transition into a high pressure modification with a UHg 2 type crystal structure. Parallel to the pressure‐induced structural alterations, ytterbium in YbGa 2 undergoes an increase of the oxidation state from +2 at ambient conditions to +3 in the high‐pressure phase. Quantum chemical calculations of the Electron‐Localisation‐Function confirm that the phase transition is associated with a conversion of the three‐dimensional gallium network of the low‐pressure crystal structure into two‐dimensional gallium layers in the high‐pressure modification.