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Ji Hoon Shim

Publications and source records attributed to Ji Hoon Shim.

At least 19 recordsLinked to original sources

Universal Signature of Hundness and Its Quantification

Hund's coupling $J$ induces fundamentally different correlation effects from Hubbard $U$. This leads to a violation of the Brinkman--Rice scenario and the emergence of a Janus-faced phase owing to its low-energy effectiveness, in which band renormalization is confined below a characteristic energy scale. We propose a quantitative framework to capture low-energy effectiveness through two correlation factors: $z_L$ for low-energy quasiparticle renormalization and $z_H$ for high-energy charge fluctuations, newly introduced in this study. The discrepancy between $z_L$ and $z_H$ reflects the Hund character of the correlation. By establishing a one-to-one correspondence between correlation factors and the spin and charge susceptibilities, we identify the spin-degree-of-freedom effectiveness as the microscopic origin of low-energy effectiveness. Our framework, validated across multiorbital models and real materials, provides a universal and quantitative measure of Hundness.

cond-mat.str-el

Unusual ferromagnetic band evolution and high Curie temperature in monolayer 1T-CrTe2 on bilayer graphene

2D van der Waals ferromagnets hold immense promise for spintronic applications due to their controllability and versatility. Despite their significance, the realization and in-depth characterization of ferromagnetic materials in atomically thin single layers, close to the true 2D limit, has been scarce. Here, a successful synthesis of monolayer (ML) 1T-CrTe2 is reported on a bilayer graphene (BLG) substrate via molecular beam epitaxy. Using angle-resolved photoemission spectroscopy and magneto-optical Kerr effect measurements, that the ferromagnetic transition is observed at the Curie temperature (TC) of 150 K in ML 1T-CrTe2 on BLG, accompanied by unconventional temperature-dependent band evolutions. The spectroscopic analysis and first-principle calculations reveal that the ferromagnetism may arise from Goodenough-Kanamori super-exchange and double-exchange interactions, enhanced by the lattice distortion and the electron doping from the BLG substrate. These findings provide pivotal insight into the fundamental understanding of mechanisms governing 2D ferromagnetism and offer a pathway for engineering higher TC in 2D materials for future spintronic devices.

cond-mat.mtrl-sci

External field induced metal-to-insulator transition in dissipative Hubbard model

In this work, we develop a non-equilibrium steady-state non-crossing approximation (NESS-NCA) impurity solver applicable to general impurity problems. The choice of the NCA as the impurity solver enables both a more accurate description of correlation effects with larger Coulomb interaction and scalability to multi-orbital systems. Based on this development, we investigate strongly correlated non-equilibrium states of a dissipative lattice system under constant electric fields. Both the electronic Coulomb interaction and the electric field are treated non-perturbatively using dynamical mean-field theory in its non-equilibrium steady-state form (NESS-DMFT) with the NESS-NCA impurity solver. We validate our implementation using a half-filled single-band Hubbard model attached to a fictitious free Fermion reservoir, which prevents temperature divergence. As a result, we identify metallic and insulating phases as functions of the electric field and the Coulomb interaction along with a phase coexistence region amid the metal-to-insulator transition (MIT). We find that the MIT driven by the electric field is qualitatively similar to the equilibrium MIT as a function of temperature, differing from results in previous studies using the iterative perturbation theory (IPT) impurity solver. Finally, we highlight the importance of the morphology of a correlated system under the influence of an electric field.

cond-mat.str-el

Clean realization of the Hund physics near the Mott transition: $\mathrm{NiS_2}$ under pressure

Strong correlation effects caused by Hund's coupling have been actively studied during the past decade. Hund's metal, strongly correlated while far from the Mott insulating limit, was studied as a representative example. However, recently, it was revealed that a typical Mott system also exhibits a sign of Hund physics by investigating the kink structure in the spectral function of $\mathrm{NiS_{2-x}Se_x}$. Therefore, to understand the Hund physics in a half-filled multi-orbital system near the metal-insulator transition, we studied pressure-induced metallic states of $\mathrm{NiS_2}$ by using density functional theory plus dynamical mean-field theory. Hund physics, responsible for suppressing local spin fluctuation, gives low-energy effective correlations, separated from Mott physics, which suppresses charge fluctuation at higher energy. This effect is prominent when $J$ becomes comparable to the quasiparticle kinetic energy, showing apparent scaling behavior of the kink position $E_{kink} \sim J \cdot Z$. We suggest that the Hund effect can also be observed in the optical conductivity as a non-Drude-like tail with $1/ω$ frequency dependence and non-monotonic temperature evolution of the integrated optical spectral weight at a fixed frequency. Our study demonstrates the important role of Hund's coupling for electronic correlations even in a half-filled system.

cond-mat.str-el

Temperature-dependent $f$-electron evolution in CeCoIn$_5$ via a comparative infrared study with LaCoIn$_5$

We investigated CeCoIn$_5$ and LaCoIn$_5$ single crystals, which have the same HoCoGa$_5$-type tetragonal crystal structure, using infrared spectroscopy. However, while CeCoIn$_5$ has 4$f$ electrons, LaCoIn$_5$ does not. By comparing these two material systems, we extracted the temperature-dependent electronic evolution of the $f$ electrons of CeCoIn$_5$. We observed that the differences caused by the $f$ electrons are more obvious in low-energy optical spectra at low temperatures. We introduced a complex optical resistivity and obtained a magnetic optical resistivity from the difference in the optical resistivity spectra of the two material systems. From the temperature-dependent average magnetic resistivity, we found that the onset temperature of the Kondo effect is much higher than the known onset temperature of Kondo scattering ($\simeq$ 200 K) of CeCoIn$_5$. Based on momentum-dependent hybridization, the periodic Anderson model, and a maximum entropy approach, we obtained the hybridization gap distribution function of CeCoIn$_5$ and found that the resulting gap distribution function of CeCoIn$_5$ was mainly composed of two (small and large) components (or gaps). We assigned the small and large gaps to the in-plane and out-of-plane hybridization gaps, respectively. We expect that our results will provide useful information for understanding the temperature-dependent electronic evolution of $f$-electron systems near Fermi level.

cond-mat.str-el

Optical transitions of a single nodal ring in SrAs$_3$: radially and axially resolved characterization

SrAs$_3$ is a unique nodal-line semimetal that contains only a single nodal ring in the Brillouin zone, uninterrupted by any trivial bands near the Fermi energy. We performed axis-resolved optical reflection measurements on SrAs$_3$ and observed that the optical conductivity exhibits flat absorption up to 129 meV in both the radial and axial directions, confirming the robustness of the universal power-law behavior of the nodal ring. Furthermore, in conjunction with model and first-principles calculations, the axis-resolved optical conductivity unveiled fundamental properties beyond the flat absorption, including the overlap energy of the topological bands, the spin-orbit coupling gap along the nodal ring, and the geometric properties of the nodal ring such as the average ring radius, ring ellipticity, and velocity anisotropy. In addition, our temperature-dependent measurements revealed a spectral weight transfer between intraband and interband transitions, indicating a possible violation of the optical sum rule within the measured energy range.

cond-mat.str-el

Origin of superionic state in Earth's inner core

Earth's inner core (IC) serves as a reservoir for volatile elements, which significantly affects its behavior and properties. Recent studies suggest that superionicity can be observed in ice and iron hydrides under high-pressure and temperature conditions, providing an alternative understanding of the planet's interior. In this study, we demonstrated that electride formation drives the superionic state in iron hydride under IC pressure conditions. The electride stabilizes the iron lattice and provides a pathway for volatile diffusion. The coupling between lattice stability and superionicity is triggered near 100 GPa and enhanced at higher pressures. The electride-driven superionicity can also be generalized for volatiles in other rocky planetary cores. These findings provide new insights into the mechanisms of core formation and evolution of rocky planets.

physics.geo-ph

Exploring two-dimensional van der Waals heavy-fermion material: Data mining theoretical approach

The discovery of two-dimensional (2D) van der Waals (vdW) materials often provides interesting playgrounds to explore novel phenomena. One of the missing components in 2D vdW materials is the intrinsic heavy-fermion systems, which can provide an additional degree of freedom to study quantum critical point (QCP), unconventional superconductivity, and emergent phenomena in vdW heterostructures. Here, we investigate 2D vdW heavy-fermion candidates through the database of experimentally known compounds based on dynamical mean-field theory calculation combined with density functional theory (DFT+DMFT). We have found that the Kondo resonance state of CeSiI does not change upon exfoliation and can be easily controlled by strain and surface doping. Our result indicates that CeSiI is an ideal 2D vdW heavy-fermion material and the quantum critical point can be identified by external perturbations.

cond-mat.str-el

Orbital anisotropy of heavy fermion Ce$_{2}$IrIn$_{8}$ under crystalline electric field and its energy scale

We investigate the temperature ($T$)-evolution of orbital anisotropy and its effect on spectral function and optical conductivity in Ce$_{2}$IrIn$_{8}$, using a first principles dynamical mean field theory combined with density functional theory. The orbital anisotropy develops by lowering $T$ and it is intensified below a temperature corresponding to the crystalline-electric field (CEF) splitting size. Interestingly, the depopulation of CEF excited states leaves a spectroscopic signature, "shoulder", in the $T$-dependent spectral function at the Fermi level. From the two-orbital Anderson impurity model, we demonstrate that CEF splitting size is the key ingredient influencing the emergence and the position of the "shoulder". Besides the two conventional temperature scales $T_{K}$ and $T^{*}$, we introduce an additional temperature scale to deal with the orbital anisotropy in heavy fermion systems.

cond-mat.str-el

Observation of spin-dependent dual ferromagnetism in perovskite ruthenates

We performed in-situ angle-resolved photoemission spectroscopy (ARPES) and spin-resolved ARPES (SARPES) experiments to investigate the relationship between electronic band structures and ferromagnetism in SrRuO$_3$ (SRO) thin films. Our high-quality ARPES and SARPES results show clear spin-lifted band structures. The spin polarization is strongly dependent on momentum around the Fermi level, whereas it becomes less dependent at high-binding energies. This experimental observation matches our dynamical mean-field theory (DMFT) results very well. As temperature increases from low to the Curie temperature, spin-splitting gap decreases and band dispersions become incoherent. Based on the ARPES study and theoretical calculation results, we found that SRO possesses spin-dependent electron correlations in which majority and minority spins are localized and itinerant, respectively. Our finding explains how ferromagnetism and electronic structure are connected, which has been under debate for decades in SRO.

cond-mat.str-el

Oxygen-driven enhancement of electron correlation in hexagonal iron at Earth's inner core conditions

Earth's inner core consists of mainly iron with a bit of light elements. Understanding of its structure and related physical properties has been elusive for both experiment and theory due to its required extremely high pressure and temperature conditions. Here, using density functional theory plus dynamical mean field theory, we demonstrate that oxygen atoms energetically stabilize hexagonal structured iron at the inner core condition. Electrical resistivity is much enhanced compared with pure hcp-Fe, supporting the conventional thermal convection model. Moreover, our calculated seismic velocity shows a quantitative match with geologically observed Preliminary Reference Earth Model data.

physics.geo-ph

Extraordinary Photostability and Davydov Splitting in BN-Sandwiched Single-Layer Tetracene Molecular Crystals

Two-dimensional molecular crystals have been beyond the reach of systematic investigation because of the lack or instability of their well-defined forms. Here, we demonstrate drastically enhanced photostability and Davydov splitting in single and few-layer tetracene (Tc) crystals sandwiched between inorganic 2D crystals of graphene or hexagonal BN. Molecular orientation and long-range order mapped with polarized wide-field photoluminescence imaging and optical second-harmonic generation revealed high crystallinity of the 2D Tc and its distinctive orientational registry with the 2D inorganic crystals, which were also verified with first-principles calculations. The reduced dielectric screening in 2D space was manifested by enlarged Davydov splitting and attenuated vibronic sidebands in the excitonic absorption and emission of monolayer Tc crystals. Photostable 2D molecular crystals and their size effects will lead to novel photophysical principles and photonic applications.

cond-mat.mtrl-sci

Second-Harmonic Young Interference in Atom-Thin Heterocrystals

Optical second-harmonic generation (SHG) is a nonlinear parametric process that doubles the frequency of incoming light. Only allowed in non-centrosymmetric materials, it has been widely used in frequency modulation of lasers, surface scientific investigation, and label-free imaging in biological and medical sciences. Two-dimensional crystals are ideal SHG-materials not only for their strong light-matter interaction and atomic thickness defying the phase-matching requirement but also for their stackability into customized hetero-crystals with high angular precision and material diversity. Here we directly show that SHG in hetero-bilayers of transition metal dichalcogenides (TMDs) is governed by optical interference between two coherent SH fields with material-dependent phase delays using spectral phase interferometry. We also quantify the frequency-dependent phase difference between MoS2 and WS2, which also agrees with polarization-resolved data and first-principles calculations on complex susceptibility. The second-harmonic analogue of Young double-slit interference shown in this work demonstrates the potential of custom-designed parametric generation by atom-thick nonlinear optical materials.

cond-mat.mtrl-sci

Tailoring high-TN interlayer antiferromagnetism in a van der Waals itinerant magnet

Antiferromagnetic (AFM) van der Waals (vdW) materials provide a novel platform for synthetic AFM spintronics, in which the spin-related functionalities are derived from manipulating spin configurations between the layers. Metallic vdW antiferromagnets are expected to have several advantages over the widely-studied insulating counterparts in switching and detecting the spin states through electrical currents but have been much less explored due to the lack of suitable materials. Here, utilizing the extreme sensitivity of the vdW interlayer magnetism to material composition, we report the itinerant antiferromagnetism in Co-doped Fe4GeTe2 with TN ~ 210 K, an order of magnitude increased as compared to other known AFM vdW metals. The resulting spin configurations and orientations are sensitively controlled by doping, magnetic field, temperature, and thickness, which are effectively read out by electrical conduction. These findings manifest strong merits of metallic vdW magnets with tunable interlayer exchange interaction and magnetic anisotropy, suitable for AFM spintronic applications.

cond-mat.mtrl-sci

Enhancement of Giant Rashba Splitting in BiTeI under Asymmetric Interlayer Interaction

We carry out density functional theory calculation to enhance the Rashba spin splitting (RSS) of BiTeI by modifying the interlayer interaction. It is shown that RSS increases as the Te layer approaches to adjacent Bi layer or the I layer recedes from the Bi layer. Our results indicate that the RSS can be sensitively increased by introducing a vacancy on the Te site to make effective Bi-Te distance shorter. It is also found that the difference of Te p orbital character between two spin-split bands increases when the RSS is developed along crystal momentum, which supports asymmetric interlayer interaction in the spin-split bands. Our work suggests that the modification of interlayer interaction is an effective approach in the modeling of the RSS in BiTeI and other layered materials.

cond-mat.mes-hall

Energy Scales of the Doped Anderson Lattice Model

This paper explores the energy scales of the doped Anderson lattice model using dynamical mean-field theory (DMFT), using a continuous-time Quantum Monte Carlo (CTQMC) impurity solver. We show that the low temperature properties of the lattice can not be scaled using the single ion local Kondo temperature $T_K$ but instead are governed by a doping-dependent coherence temperature $T*$ which can be used to scale the temperature dependence of the spectral function, transport properties, and entropy. At half filling $T*$ closely approximates the single ion $T_K$, but as the filling $n_c$ is reduced to zero, $T*$ also vanishes. The coherence temperature $T*$ is shown to play a role of effective impurity Kondo temperature in the lattice model, and physical observables show significant evolution at $T*$. In the DMFT framework, we showed that the hybridization strength of the effective impurity model is qualitatively affected by the doping level, and determines $T*$ in the lattice model.

cond-mat.str-el

Electronic Spin transition in FeO$_{2}$: evidence for Fe(II) with peroxide O$_{2}^{2-}$

The discovery of FeO$_{2}$ containing more oxygen than hematite (Fe$_{2}$O$_{3}$) that was previously believed to be the most oxygen rich iron compounds, has important implications on the study of the deep lower mantle compositions. Compared to other iron compounds, there are limited reports on FeO$_{2}$ making studies of its physical properties of great interest in fundamental condensed matter physics and geoscience. Even the oxidation state of Fe in FeO$_{2}$ is the subject of debate in theoretical works and there have not been reports from experimental electronic and magnetic properties measurements. Here, we report the pressure-induced spin state transition from synchrotron experiments and our computational results explain the underlying mechanism. Using density functional theory and dynamical mean field theory, we calculated spin states of Fe with volume and Hubbard interaction $U$ change, which clearly demonstrate that Fe in FeO$_{2}$ consists of Fe(II) and peroxide O$_{2}^{2-}$. Our study suggests that localized nature of both Fe 3$d$ orbitals and O$_{2}$ molecular orbitals should be correctly treated for unveiling the structural and electronic properties of FeO$_{2}$.

cond-mat.str-el

Direct visualization of coexisting channels of interaction in CeSb

Our understanding of correlated electron systems is vexed by the complexity of their interactions. Heavy fermion compounds are archetypal examples of this physics, leading to exotic properties that weave together magnetism, superconductivity and strange metal behavior. The Kondo semimetal CeSb is an unusual example where different channels of interaction not only coexist, but their physical signatures are coincident, leading to decades of debate about the microscopic picture describing the interactions between the $f$ moments and the itinerant electron sea. Using angle-resolved photoemission spectroscopy, we resonantly enhance the response of the Ce$f$-electrons across the magnetic transitions of CeSb and find there are two distinct modes of interaction that are simultaneously active, but on different kinds of carriers. This study is a direct visualization of how correlated systems can reconcile the coexistence of different modes on interaction - by separating their action in momentum space, they allow their coexistence in real space.

cond-mat.str-el