Recently discovered heavy fermion CeRh$_{2}$As$_{2}$ compound crystallizes in the nonsymmorphic $P4/nmm$ symmetry, which enables the occurrence of topological protection. Experimental results show that this material exhibits unusual behavior, which is manifested by the appearance of two superconducting phases. In this work, we uncover and discuss a role of Rh$_{2}$As$_{2}$ layers and their impact on the electronic and dynamical properties of the system. The location of Ce atoms between two non-equivalent layers allows for the realization of hidden orbital order. We point out that the electronic band structure around the Fermi level is associated mostly with Ce $4f$ and Rh $4d$ orbitals and suggest the occurrence of the Lifshitz transition induced by the external magnetic field. We discuss also the role played by the $f$--$d$ orbital hybridization in the electronic band structure.
We present a first-principles many-body analysis of multi-orbital lattice susceptibilities in the metallic phase of the quasi-twodimensional compound LiVS$_2$. We base this on advanced correlated electronic structure methods for the $t_{2g}$-shell to reveal a highly entangled spin-orbital hexagonal ordering (SOHO) bringing about an inherently intersite order parameter for the trimerization transition, which eventually leads to an intriguing insulating phase at low temperature.
We have experimentally found related anomalies in electrical resistivity, dc and ac magnetic susceptibility, appearing deeply within ferromagnetically ordered state in SrRuO3. Lack of Jahn-Teller distortion in this regime rules out conventional orbital order, forcing one to describe these in terms of an orbital liquid ground state coexisting with ferromagnetic spin order. We suggest that weak spin-orbit coupling in such an unusual state underpins the observed anomalies.
It was previously believed that the Bloch electronic states of non-magnetic materials with inversion symmetry cannot have finite spin polarizations. However, since the seminal work by Zhang et al. [Nat. Phys. 10, 387-393 (2014)] on local spin polarizations of Bloch states in non-magnetic, centrosymmetric materials, the scope of spintronics has been significantly broadened. Here, we show, using a framework that is universally applicable independent of whether hidden spin polarizations are small (e.g., diamond, Si, Ge, and GaAs) or large (e.g., MoS2 and WSe2), that the corresponding quantity ari…
We performed angle-resolved photoemission spectroscopy (ARPES) of bulk 2H-WSe$_2$ for different crystal orientations linked to each other by time-reversal symmetry. We introduce a new observable called time-reversal dichroism in photoelectron angular distributions (TRDAD), which quantifies the modulation of the photoemission intensity upon effective time-reversal operation. We demonstrate that the hidden orbital pseudospin texture leaves its imprint onto TRDAD, due to multiple orbitals interference effects in photoemission. Our experimental results are in quantitative agreement with both tight…
Low crystal symmetry of magnetic van der Waals materials naturally promotes spin-orbital complexity unachievable in common magnetic materials used for spin-orbit torque switching. Here, using first-principles methods, we demonstrate that an interplay of spin and orbital degrees of freedom has a profound impact on spin-orbit torques in a prototype van der Waals ferromagnet: Fe$_3$GeTe$_2$ (FGT). While we show that bulk FGT hosts strong "hidden" current-induced torques harvested by each of its layers, we uncover that their origin alternates between the conventional spin flux torque and the so-ca…
Finding stimuli capable of driving an imbalance of spin-polarised electrons within a solid is the central challenge in the development of spintronic devices. However, without the aid of magnetism, routes towards this goal are highly constrained with only a few suitable pairings of compounds and driving mechanisms found to date. Here, through spin- and angle-resolved photoemission along with density functional theory, we establish how the $p$-derived bulk valence bands of semiconducting 1T-HfSe$_2$ possess a local, ground-state spin texture spatially confined within each Se-sublayer due to stro…
We study the electronic structure of delafossite PtCoO$_2$ to elucidate its extremely small resistivity and high mobility. The band exhibits steep dispersion near the Fermi level despite the fact that it is formed mainly by Pt $d$ orbitals that are typically localized. We propose a picture based on two hidden kagome-lattice-like electronic structure: one originating from Pt $s+p_x/p_y$ orbitals, and the other from Pt $d_{3z^2-r^2}+d_{xy}/d_{x^2-y^2}$ orbitals, each placed on the bonds of the triangular lattice. In particular, we find that the underlying Pt $s+p_x/p_y$ bands actually determine …
Recent theoretical work has established the presence of hidden spin and orbital textures in non-magnetic materials with inversion symmetry. Here, we propose that these textures can be detected by nuclear magnetic resonance (NMR) measurements carried out in the presence of an electric field. In crystals with hidden polarizations, a uniform electric field produces a staggered magnetic field that points to opposite directions at atomic sites related by spatial inversion. As a result, the NMR resonance peak corresponding to inversion partner nuclei is split into two peaks. The magnitude of the spl…
Mn-based alloys exhibit unique properties in the spintronics materials possessing perpendicular magnetic anisotropy (PMA) beyond the Fe and Co-based alloys. It is desired to figure out the quantum physics of PMA inherent to Mn-based alloys, which have never been reported. Here, the origin of PMA in ferrimagnetic Mn$_{3-δ}$Ga ordered alloys is investigated to resolve antiparallel-coupled Mn sites using x-ray magnetic circular and linear dichroism (XMCD/XMLD) and a first-principles calculation. We found that the contribution of orbital magnetic moments in PMA is small from XMCD and that the fini…
FeGe as a building block for the kagome 1:1, 1:6:6, and 1:3:5 families: hidden d-orbital decoupling of flat band sectors, effective models and interaction Hamiltonians
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, density of states, and 4$f$ valence state fluctuation of CeB$_{6}$ are calculated in a broad temperature range of 10 $\sim$ 120 K. Overall, the 4$f$ electrons remain incoherent, approximately irrespective of the temperature. However, we find that these observables exhibit some unusual features near 20 K. In addition, the evolution of 4$f$ orbital occupancy, total …
In low-dimensional metallic systems, lattice distortion is usually coupled to a density-wave-like electronic instability due to Fermi surface nesting (FSN) and strong electron-phonon coupling. However, the ordering of other electronic degrees of freedom can also occur simultaneously with the lattice distortion thus challenges the aforementioned prevailing scenario. Recently, a hidden electronic reconstruction beyond FSN was revealed in a layered metallic compound BaTi2As2O below the structural transition temperature Ts ~ 200 K. The nature of this hidden electronic instability is under strong d…
Recent experimental observations of Weyl fermions in materials opens a new frontier of condensed matter physics. Based on first-principles calculations, we here discover Weyl fermions in a two-dimensional layered electride material Y$_2$C. We find that the Y 4$d$ orbitals and the anionic $s$-like orbital confined in the interstitial spaces between [Y$_2$C]$^{2+}$ cationic layers are hybridized to give rise to van Have singularities near the Fermi energy $E_{\rm F}$, which induce a ferromagnetic (FM) order via the Stoner-type instability. This FM phase with broken time-reversal symmetry hosts t…
Finding new collective electronic states in materials is one of the fundamental goals of condensed matter physics. Atomic-scale superlattices formed from transition metal oxides are a particularly appealing hunting ground for new physics. In bulk form, transition metal oxides exhibit a remarkable range of magnetic, superconducting, and multiferroic phases that are of great scientific interest and are potentially capable of providing innovative energy, security, electronics and medical technology platforms. In superlattices new states may emerge at the interfaces where dissimilar materials meet…
Although the concept of Luttinger liquid (LL) that describes a one-dimensional (1D) interacting fermion system collapses in higher dimensions, it has been proposed to be closely related to many mysteries including the normal state of cuprate superconductor, unconventional metal, and quantum criticality. Therefore, the generalization of LL model to higher dimensions has attracted substantial research attention. Here we systematically investigate the electronic structure of a quasi-2D compound η-Mo4O11 using high-resolution angle-resolved photoemission spectroscopy and ab-initio calculation. Rem…
The orbital degrees of freedom play a pivotal role in understanding fundamental phenomena in solid-state materials as well as exotic quantum states of matter including orbital superfluidity and topological semimetals. Despite tremendous efforts in engineering synthetic cold-atom, electronic and photonic lattices to explore orbital physics, thus far high orbitals in an important class of materials, namely, the higher-order topological insulators (HOTIs), have not been realized. Here, we demonstrate p-orbital corner states in a photonic HOTI, unveiling their underlying topological invariant, sym…
The five-band Hubbard model for a $d$ band with one electron per site is a model which has very interesting properties when the relevant ions are located at sites with high (e. g. cubic) symmetry. In that case, if the crystal field splitting is large one may consider excitations confined to the lowest threefold degenerate $t_{2g}$ orbital states. When the electron hopping matrix element ($t$) is much smaller than the on-site Coulomb interaction energy ($U$), the Hubbard model can be mapped onto the well-known effective Hamiltonian (at order $t^{2}/U$) derived by Kugel and Khomskii (KK). Recent…
We elucidate light-induced orbital and spin current through nonlinear response theory, which generalizes the well-known bulk photovoltaic effect in centrosymmetric broken materials from charge to the spin and orbital degrees of freedom. We use two-dimensional nonmagnetic ferroelectric materials (such as GeS and its analogues) to illustrate this bulk orbital/spin photovoltaic effect, through first-principles calculations. These materials possess a vertical mirror symmetry and time-reversal symmetry but lack of inversion symmetry. We reveal that in addition to the conventional photocurrent that …
A Kagome lattice, formed by triangles of two different directions, is known to have many emergent quantum phenomena. Under the breathing anisotropy of bond strengths, this lattice can become a higher-order topological insulator (HOTI), which hosts topologically protected corner states. Experimental realizations of HOTI on breathing Kagome lattices have been reported for various artificial systems, but not for simple natural materials with an electronic breathing Kagome lattice. Here we prove that a breathing Kagome lattice and HOTI are hidden inside the electronic structure of hexagonal transi…
Quasiparticle interference (QPI) imaging is well established to study the low-energy electronic structure in strongly correlated electron materials with unrivalled energy resolution. Yet, being a surface-sensitive technique, the interpretation of QPI only works well for anisotropic materials, where the dispersion in the direction perpendicular to the surface can be neglected and the quasiparticle interference is dominated by a quasi-2D electronic structure. Here, we explore QPI imaging of galena, a material with an electronic structure that does not exhibit pronounced anisotropy. We find that …
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 electronic-structure results, we find that the \emph{antiferro-quadrupolar} (AFQ) ordering in CeB$_{6}$ arises from crystal-field splitting and yields band structure in agreement with experiments. With interactions of $p$-electrons between Ce and B$_{6}$ being small, the electronic state of CeB$_{6}$ is suitably described as Ce(4$f^{1}$)$^{3+}$(e$^{-}$)(B$_{6}$)…
Recently, it has been known that the hidden Rashba (R-2) effect in two-dimensional materials gives rise to a novel physical phenomenon called spin-layer locking (SLL). However, not only has its underlying fundamental mechanism been unclear, but also there are only a few materials exhibiting weak SLL. Here, through the first-principles density functional theory and model Hamiltonian calculation, we reveal that the R-2 SLL can be determined by the competition between the sublayer-sublayer interaction and the spin-orbit coupling (SOC), which is related to the Rashba strength. In addition, the orb…
