Valence fluctuations in CeIn3 under the effect of pressure

Ilkhani, Mansoure; Abolhassani, M. R.; Aslaninejad, M.

doi:10.1140/epjb/e2008-00323-6

Cited by 8 publications

(2 citation statements)

References 24 publications

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“…where U is the Coulomb interaction strength and J the Hund's exchange parameter. Here we adopted U = 6.2 eV and J = 0.7 eV, which were exactly accordance with the values reported in the literatures 35,38 . As for the double counting term Σ dc , the fully localized limit (FLL) scheme was used 48 ,…”

Section: Methodssupporting

confidence: 66%

“…It was proposed that the pairing mechanism in the pressure-induced superconducting state is likely related to the magnetic fluctuations 22 , so that CeIn 3 has been regarded as one of the best tentative compounds to study the interplay between magnetic ordering and superconductivity. Many efforts have been done to investigate the change of its low temperature (T < T N ) electronic and magnetic structures under pressure up to 10 GPa via the ARPES, de Haas-van Alphen (dHvA) experiments 23-28 , 115 In nuclear quadrupole resonance (NQR) spectroscopy [29][30][31][32][33][34] , and theoretical calculations [35][36][37][38][39][40] , etc. Until now its P − T magnetic phase diagram at low temperature and low pressure regime arXiv:1606.03367v2 [cond-mat.str-el] 16 Aug 2016 has been well established.…”

Section: Introductionmentioning

confidence: 99%

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Pressure-driven4flocalized-itinerant crossover in heavy-fermion compoundCeIn3: A first-principles many-body perspective

2016

Phys. Rev. B

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The localized-itinerant nature of Ce-4 f valence electrons in heavy fermion compound CeIn 3 under pressure is studied thoroughly by means of the combination of density functional theory and single-site dynamical meanfield theory. The detailed evolutions of electronic structures of CeIn 3 , including total and partial density of states, momentum-resolved spectral functions, and valence state histograms etc., are calculated in a wide pressure range where the corresponding volume compression V/V 0 ∈ [0.6, 1.0] (here V 0 is the experimental crystal volume) at T 116 K. Upon increasing pressure, two strong peaks associated with the Ce-4 f states emerge near the Fermi level, and the c-f hybridization and valence state fluctuation are enhanced remarkably. Moreover, the kinetic and potential energies raise, while the occupancy, total angular momentum, and low-energy scattering rate of the Ce-4 f electrons decline with respect to pressure. All the physical observables considered here exhibit prominent kinks or fluctuations in V/V 0 ∈ [0.80, 0.90], which are probably the desired fingerprints for the Ce-4 f localized-itinerant crossover.

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Section: Methodssupporting

confidence: 66%