Related papers: Hybridization functions of intermetallic Ce compou…
The unusual features of topological semimetals arise from its nontrivial band structure. The impact of strong electron correlations on the topological states remains largely unexplored in real materials. Here, we report the magnetotransport…
We theoretically analyze the surface density of states of heavy fermion materials such as CeCoIn$_5$. Recent experimental progress made it possible to locally probe the formation of heavy quasi-particles in these systems via scanning…
The Heavy Fermion state in UPd2Al3 may be approximately described by a dual model where two of the three U- 5f electrons are in a localized state split by the crystalline electric field into two low lying singlets with a splitting energy of…
The electronic structure of the nitrogenase metal cofactors is central to nitrogen fixation. However, the P-cluster and iron molybdenum cofactor, each containing eight irons, have resisted detailed characterization of their electronic…
We use x-ray absorption spectroscopy as well as its linear and circular magnetic dichroisms to characterize relevant interactions and energy scales in the surface intermetallic CePt$_5$/Pt(111). The experiments provide insight into crystal…
Charge-transfer effect under odd-parity crystalline electric field (CEF) is analyzed theoretically. In quantum-critical metal $\beta$-YbAlB$_4$, seven-fold configuration of B atoms surrounding Yb atom breaks local inversion symmetry at the…
We have performed a photoemission spectroscopy (PES) study of CeM2Al10 (M = Fe, Ru, and Os) to directly observe the electronic structure involved in the unusual magnetic ordering. Soft X-ray resonant (SXR) PES provides spectroscopic…
This article is a pedagogical review of theoretical studies of noncentrosymmetric superconductors with particular emphasis on the role played by electron correlation, which is important for heavy fermion systems. We survey unique properties…
Cerium-based intermetallics are currently attracting much interest as a possible alternative to existing high-performance magnets containing scarce heavy rare-earth elements. However, the intrinsic magnetic properties of Ce in these systems…
The nature of the elemental cerium phases, undergoing an isostructural volume collapse transition, cannot be understood using conventional solid state concepts. Using the combination of density functional theory and dynamical mean-field…
The electronic and magnetic structures of A2CrN3 (A = Ce, U) ternary compounds calculated based on band magnetism within DFT exhibit different behaviors of the nf elements (n = 4, 5 resp.). Charge analysis allows to formally express the two…
A model for the coexistence of p-wave superconductivity (SC) and ferroelectricity (FE) is presented. The Hamiltonian of SC sector and FE sector can be diagonalized by using the $so(5)$ and $h(4)$ algebraic coherent states respectively. We…
Crystal-field (CF) effects on the rare-earth (RE) ions in ferrimagnetic intermetallics NdCo$_5$ and TbCo$_5$ are evaluated using an ab initio density functional + dynamical mean-field theory approach in conjunction with a quasi-atomic…
Understanding the origin of superconductivity in strongly correlated electron systems continues to be at the forefront of unsolved problems in all of physics. Among the heavy f-electron systems, CeCoIn5 is one of the most fascinating, as it…
Six half-metallic ferromagnets X0.75Y0.25C (X=Si, Ge, Sn and Y =Ca and Sr) with zinc-blende structure, resulting from alkaline-earth (Ca, Sr) substitution for X, are predicted based on the density functional theory. The calculated total…
Superconductivity is a fascinating example of how "more is different". It is due to electrons binding into bosonic Cooper pairs, which exhibit coherent behavior across a macroscopic sample. Finding the mechanism responsible for this binding…
The low-carrier ordered phase below the metal-non-metal transition temperature T_MI ~ 63 K of PrRu4P12 is explored by probing magnetoresistance, magnetic susceptibility, thermoelectric power, and Hall effect on high quality single crystals.…
The major chemical feature of an element is the number of electrons available for forming chemical bonds. A doctrine rooted in the atomic shell model states that the atoms will maintain a complete inner shell while interacting with other…
In conventional electrides, excess electrons are localized in crystal voids to serve as anions. Most of these electrides are metallic and the metal cations are primarily from the s-block, d-block, or rare-earth elements. Here, we report a…
The electronic structure and selected zone-center phonons in Yb graphite intercalation compound (YbC6) are investigated {theoretically} using density functional calculations and LDA+U approximation for Coulomb correlations in the f shell,…