Effect of pressure on valence and structural properties of YbFe2Ge2 heavy fermion compound-A combined inelastic X-ray spectroscopy, X-ray diffraction, and theoretical investigation

Kumar, R S and Svane, A and Vaitheeswaran, G and V, Kanchana and Antonio, D and Cornelius, A L and Bauer, E D and Xiao, Y and Chow, P (2015) Effect of pressure on valence and structural properties of YbFe2Ge2 heavy fermion compound-A combined inelastic X-ray spectroscopy, X-ray diffraction, and theoretical investigation. Inorganic Chemistry, 54 (21). pp. 10250-10255. ISSN 0020-1669

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Abstract

The crystal structure and the Yb valence of the YbFe2Ge2 heavy fermion compound was measured at room temperature and under high pressures using high-pressure powder X-ray diffraction and X-ray absorption spectroscopy via both partial fluorescence yield and resonant inelastic X-ray emission techniques. The measurements are complemented by first-principles density functional theoretical calculations using the self-interaction corrected local spin density approximation investigating in particular the magnetic structure and the Yb valence. While the ThCr2Si2-type tetragonal (I4/mmm) structure is stable up to 53 GPa, the X-ray emission results show an increase of the Yb valence from v = 2.72(2) at ambient pressure to v = 2.93(3) at ∼9 GPa, where at low temperature a pressure-induced quantum critical state was reported.

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