# First-principles study of the electronic structure and the Fermi surface in rare-earth filled skutterudites RPt4Ge12

@article{Pascut2019FirstprinciplesSO,
title={First-principles study of the electronic structure and the Fermi surface in rare-earth filled skutterudites
RPt4Ge12},
author={Gheorghe Lucian Pascut and Michael Widom and Kristjan Haule and Khandker F. Quader},
journal={Physical Review B},
year={2019}
}
Experiments on rare-earth filled skutterudites demonstrate an intriguing array of thermodynamic, transport, and superconducting properties, and bring to fore theoretical challenges posed by $f$-electron systems. First-principle calculations based density functional theory and its extensions for strongly correlated systems such as the Hubbard $U$ correction, provide valuable information about electronic structure that can be used to understand experiments. We present a comprehensive study of the… Expand
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#### References

SHOWING 1-10 OF 74 REFERENCES
Investigation of superconducting and normal-state properties of the filled-skutterudite system PrPt 4 Ge 12 − x Sb x
We report a study of the superconducting and normal-state properties of the filled-skutterudite system PrPt$_{4}$Ge$_{12-x}$Sb$_x$. Polycrystalline samples with Sb concentrations up to $x =$ 5 wereExpand
Fermi surface of IrTe2 in the valence-bond state as determined by quantum oscillations
We report the observation of the de Haas--van Alphen effect in ${\mathrm{IrTe}}_{2}$ measured using torque magnetometry at low temperatures down to 0.4 K and in high magnetic fields up to 33 T.Expand
Electronic Structure of the Novel Filled Skutterudite PrPt 4 Ge 12 Superconductor
We have performed soft x-ray photoemission spectroscopy (SXPES) and resonant photoemission spectroscopy (RPES) of the filled skutterudite superconductor PrPt 4 Ge 12 in order to study the electronicExpand
High-pressure synthesis and exotic heavy-fermion behaviour of the filled skutterudite SmPt4Ge12
Ternary samarium-filled platinum–germanium skutterudite SmPt4Ge12 was prepared at a pressure of 5.0(0.5) GPa and a temperature of 1070(70) K. The compound crystallizes in the cubic space groupExpand
Charge-doping-driven evolution of magnetism and non-Fermi-liquid behavior in the filled skutterudite CePt4Ge(12-x)Sb(x).
Band-structure calculations support the conclusion that the physical properties of the filled skutterudite compound CePt(4)Ge(12) are governed by the interplay of electron supply via Sb substitution and the concomitant volume effects. Expand
Treatment of 4 f states of the rare earths : The case study of TbN
• Physics
• 2014
The lattice constant, bulk modulus, and shear constant of TbN are calculated by means of density functional theory (DFT) in the local density approximation (LDA) and generalized gradientExpand
Physical properties and valence state of cerium in the filled skutterudite CePt₄Ge₁₂.
• R. Gumeniuk, +7 authors Y. Grin
• Chemistry, Medicine
• Journal of physics. Condensed matter : an Institute of Physics journal
• 2011
CePt₄Ge₁₂ represents a system at the border between intermediate valence (IV) and Kondo lattice behavior, and the lattice specific heat and the thermal conductivity are discussed with respect to the vibrational dynamics of Ce. Expand
The unconventional superconductivity of skutterudite PrOs4Sb12 : Time-reversal symmetry breaking and adjacent field-induced quadrupole ordering
This review presents a summary and evaluation of the experimental properties of unconventional superconductivity in PrOs 4 Sb 12 . After a brief introduction of filled skutterudites, we argue thatExpand
Dynamical mean-field theory within the full-potential methods: Electronic structure of CeIrIn 5 , CeCoIn 5 , and CeRhIn 5
• Physics
• 2010
We implemented the charge self-consistent combination of density-functional theory and dynamical mean-field theory (DMFT) in two full-potential methods, the augmented plane-wave and the linearExpand
Correlated Electron Phenomena in Ce- and Pr-based Filled Skutterudite Arsenides and Antimonides
In order to elucidate the variety of correlated electron phenomena found in filled skutterudite compounds, experiments were performed on single crystals of ternary Ce- and Pr-based filledExpand