Related papers: Hybridization functions of intermetallic Ce compou…
Ce compounds feature a remarkable diversity of electronic properties, which motivated extensive investigations over the last decades. Inelastic neutron scattering represents an important tool for understanding their underlying electronic…
Intermetallic compounds containing f-electron elements display a wealth of superconducting phases, that are prime candidates for unconventional pairing with complex order parameter symmetries. For instance, superconductivity has been found…
Using the numerical renormalization group method, we investigate an extended Anderson model, in which correlated electrons with the $\Gamma_1$(singlet)-$\Gamma4$(triplet) f$^2$ crystalline-electric-field (CEF) configuration hybridize with…
Cohesion mechanism of cubic approximant crystals of newly discovered binary quasicrystals, Cd$_6$M (M=Yb and Ca), are studied theoretically. It is found that stabilization due to alloying is obtained if M is an element with low-lying…
The Ce(Co,Rh,Ir)In$_5$ family of ``Ce-115'' materials hosts an abundance of correlated electron behavior, including heavy-fermion physics, magnetism, superconductivity and nematicity. The complicated behavior of these entangled phenomena…
The effect of hydrostatic pressure on the electronic structures of iron pnictide superconducting compounds LiFeAs and NaFeAs through density functional theory based first principles studies are presented, using the predicted crystal…
We investigate the electronic structure of americium (Am) across its four experimentally confirmed high-pressure phases Am-I (P63/mmc), Am-II (Fm-3m), Am-III (Fddd), and Am-IV (Pnma) up to 100 GPa, using density functional theory combined…
The electronic structures of the actinide elements U, Np, Pu, Am, Cm and Bk are investigated within the self-interaction corrected local spin density approximation. This method allows to describe a dual character of the 5f electrons, some…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
Hybrid structures synthesized from different materials have attracted considerable attention because they may allow not only combination of the functionalities of the individual constituents but also mutual control of their properties. To…
Heavy fermion materials gain high electronic masses and expand Fermi surfaces when the high-temperature localized f electrons become itinerant and hybridize with the conduction band at low temperatures. However, despite the common…
Cerium-hexaboride (CeB$_6$) f-electron compound displays a rich array of low-temperature magnetic phenomena, including `magnetically hidden' order, identified as multipolar in origin via advanced x-ray scattering. From first-principles…
Numerous phenomenological parallels have been drawn between f- and d- electron systems in an attempt to understand their display of unconventional superconductivity. The microscopics of how electrons evolve from participation in large…
The temperature-dependent electronic structures of heavy fermion compound CeB$_{6}$ are investigated thoroughly by means of the combination of density functional theory and single-site dynamical mean-field theory. The band structure,…
We investigate the evolution of the heavy fermion ground state under application of a strong external magnetic field. We present a richer version of the usual hybridization mean field theory that allows for hybridization in both the singlet…
CeRh6Ge4 is a cerium-based ferromagnetic material exhibiting a quantum critical behavior under pressure. We derive effective exchange interactions, using the framework of density functional theory combined with dynamical mean-field theory.…
We report the ultrafast optical pump-probe spectroscopy measurements on the recently discovered quantum critical ferromagnet CeRh$_6$Ge$_4$. Our experimental results reveal the two-stage development of the hybridization between localized…
We report on detailed low temperature measurements of the magnetization, the specific heat and the electrical resistivity on high quality CeRuSn single crystals. The compound orders antiferromagnetically at $T_{\rm N} = 2.8$ K with the…
Group-IV monochalcogenides have recently shown great potential for their thermoelectric, ferroelectric, and other intriguing properties. The electrical properties of group-IV monochalcogenides exhibit a strong dependence on the chalcogen…
The electronic structure of the Kondo lattice CeIn3 has been studied by on-resonant angle-resolved photoemission spectroscopy and scanning tunneling microscopy/spectroscopy. A weakly dispersive quasiparticle band has been observed directly…