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Chemical Bonding and Pressure‐Induced Change of the Electron Configuration of Ytterbium in β‐YbAgGa~2~ by Ulrich Schwarz; Marcus Schmidt; Roman Gumeniuk; Walter Schnelle; Michael Hanfland; Konstantin Klementiev; Yuri Grin is a Chemistry article available to read on EtoBox.

What is Chemical Bonding and Pressure‐Induced Change of the Electron Configuration of Ytterbium in β‐YbAgGa~2~ about?

## Abstract Single‐phase polycrystalline samples of the intermetallic compound β‐YbAgGa~2~ were synthesized by inductive heating and subsequent annealing for eight weeks at 670 K. Magnetic properties were characterized by susceptibility measurements and indicated intermediate valence of ytterbium at ambient pressure. Angle‐dispersive X‐ray powder diffraction data of orthorhombic β‐YbAgGa~2~ indicate stability of the phase in the investigated pressure range from 0.1 MPa (ambient pressure) to 19 GPa. The pressure‐induced volume decrease is accompanied by an increase of the effective valence from 2.17 at ambient conditions to 2.71 at 16 GPa as evaluated by X‐ray absorption spectroscopy at the Yb __L__~III~ threshold. Analysis of the chemical bonding in β‐YbAgGa~2~ by integrating the electron density of the polyanion in basins as defined by the electron localization function results in an electron count Yb^2.7+^[(Ag^0.2—^)(Ga1(3b)^1.0—^)(Ga2(4b)^1.5—^)]. This finding is close to the expected values calculated by means of the Zintl rules and fits well the results of magnetic susceptibility measurements and XAS investigations.

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Author

Ulrich Schwarz; Marcus Schmidt; Roman Gumeniuk; Walter Schnelle; Michael Hanfland; Konstantin Klementiev; Yuri Grin

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); Wiley - V C H Verlag GmbbH & Co.; Wiley (ISSN 0372-7874)

Published

2004

Language

EN

Field

Chemistry (Physical Sciences)