arXiv subjects

Heung-Sik Kim

Publications and source records attributed to Heung-Sik Kim.

At least 19 recordsLinked to original sources

arXiv2026

Magnetic properties of a quasi-two-dimensional spin-1/2 antiferromagnet Y2CuGe4O12

Competing magnetic interactions and frustration-induced quantum fluctuations in spatially anisotropic low-dimensional magnets often give rise to exotic magnetic phenomena, including field-induced phases. Here, we present crystal structure, magnetic susceptibility, specific heat, and electron spin resonance (ESR) measurements on polycrystalline Y$2$CuGe$4$O${12}$, supported by density functional theory (DFT) calculations. In this compound, the Cu$^{2+}$ ions form a distorted triangular lattice with competing intraplanar ferromagnetic ($J_1 \approx 0.138$ K and $J_2 \approx 0.01$ K) and antiferromagnetic ($J_3 \approx -3.22$ K) exchange interactions, together with a weaker interplanar antiferromagnetic coupling ($J_4 \approx -1.56$ K). These interactions account for the small Curie--Weiss temperature, $θ{\rm CW}=-1.8$ K. Despite the dominant antiferromagnetic interactions, no signature of long-range magnetic ordering is observed down to 0.4 K. Instead, broad maxima in both the magnetic susceptibility and magnetic specific heat reveal the development of short-range spin correlations, further supported by the critical ESR linewidth broadening characteristic of low-dimensional frustrated magnets. Application of an external magnetic field progressively suppresses the broad maximum in the magnetic specific heat, reflecting competition between the Zeeman and exchange energy scales, and drives the system into a field-polarized state above the saturation field, $μ_0H_{\rm s}=2.6$ T. In this regime, the magnetic specific heat exhibits an exponential temperature dependence, consistent with gapped magnon excitations. These results establish Y$_2$CuGe$4$O${12}$ as a rare distorted triangular-lattice magnet in which further-neighbor exchange interactions dominate the magnetic behavior, providing a promising platform for exploring frustration-driven quantum phenomena.

cond-mat.str-el↗

arXiv2026

Data-efficient reconstruction of critical quantum dynamics via blind fractional-envelope extrapolation

Simulating real-time dynamics of quantum systems is often limited to short times by entanglement growth. Finite-pole reconstructions such as linear prediction and related machineries extrapolate such data reliably when the spectrum is a finite set of excitations, but at criticality the low-energy spectrum is a power-law continuum $A(ω)\sim|ω|^{α-1}$ -- a branch cut whose real-time tail $G(t)\sim t^{-α}$ finitely many poles cannot represent. Here we develop a fractional-calculus-motivated envelope extrapolation for such data. Its structure is motivated by a fractional form of Schwinger--Dyson (fSD) equation, in which the Laplace symbol $s^α$ carries the branch cut analytically while the residual self-energy remains meromorphic. On real data we employ the corresponding operational alternative -- the exponent $α$ is selected blindly inside the fit window, the signal is detrended by $t^α$, the residual is fitted by a stabilized finite-pole model, and the algebraic envelope is restored. On the critical XXZ chain this blind fractional-envelope method (fSD for short) extrapolates short-time data typically several-fold more accurately than finite-pole methods, with the exponent $α$ identified blindly from the fit window alone and bracketing the closed-form Luttinger value at weak coupling. The same blind search finds the $z=2$ dilute-magnon exponent $α=1/2$ at the $Δ=1$ saturation transition, and the advantage persists in the gapped free-magnon phase with its sharp band edges. On noncritical dynamical mean-field spectra, whose low-frequency response is regular, fSD by contrast fails to select any stable fractional envelope and reduces to the standard pole result rather than manufacturing a spurious power law, making it an efficient and accurate route to quantum critical dynamics when only short simulation times are accessible.

cond-mat.str-el↗

arXiv2026

Multistage spin correlations in the $s$ = 1/2 stuffed hyper-star lattice Li$_{2}$Cu$_{2}$(MoO$_{4}$)$_{3}$

Star lattice, which can be visualized as a honeycomb network with each vertex replaced by a triangle, provides a rare platform for realizing exotic quantum states such as quantum spin liquids and disorder-driven random-singlet (RS) states. Herein, we investigate the ground-state properties of the three-dimensional (3D) stuffed hyper-star lattice Li$_2$Cu$_2$(MoO$_4$)$_3$, which exhibits a crossover from short-range spin correlations to a disorder-driven RS-like state below $T^{*}\sim$15.8 K. Thermodynamic and microscopic measurements capture this crossover through a change in the power-law behavior of various observables, from $\sim T^{0.25}$ for $T > T^{*}$ to $\sim T^{-0.50}$ for $T < T^{*}$. Upon further cooling, a quasi-frozen state emerges near $T_{\rm f} = 0.32$ K, likely associated with weakly coupled spin chains within the hyper-star spin network. Our results underscore the crucial role of orphan spins and weak residual interactions in stabilizing a disorder-driven quantum-disordered state in 3D.

cond-mat.str-el↗

arXiv2026

Plasmonic polaron in self-intercalated 1T-TiS2

Electron-boson coupling is central to a comprehensive understanding of the diverse physical phenomena emerging from many-body interactions. Yet less attention has been paid to how plasmons, collective bosonic modes of electron density oscillation, interact with conduction electrons and how external parameters can tune this interaction. Here, we present a clear display of composite quasiparticles stemming from electron-plasmon coupling, known as the plasmonic polaron, in self-intercalated 1T-TiS2, by using angle-resolved photoemission spectroscopy (ARPES), high-resolution electron energy loss spectroscopy (HR-EELS) and first-principles calculations. The single particle spectral function exhibits a distinctive plasmon-loss satellite with the same characteristic energy scale determined by HR-EELS measurements. The bosonic energy scale of plasmonic polaron is tunable by controlling charge carrier density and temperature, distinguishing itself from conventional polarons arising from electron-phonon interactions. Furthermore, we find that the dielectric screening strongly affects the formation of the plasmonic polaron states. Our findings provide direct spectroscopic evidence of plasmonic polarons and establish self-intercalated layered materials as a promising platform for studying, controlling, and harnessing plasmonic interactions in quantum materials.

cond-mat.mtrl-sci↗

arXiv2026

Exchange interactions and finite-temperature magnetism in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices

We present a first-principles investigation of magnetic exchange interactions and critical behavior in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices for $n=2,4,6$. For all superlattices under investigation, we find robust half-metallic ferromagnetism extending across all the layers of both component regions. Changing octahedral tilt patterns is found to have negligible effects on the magnetic properties, despite determining the presence or absence of small Jahn-Teller distortions. The analysis of the response of the magnetic coupling to a variation of the Coulomb interaction parameters demonstrates that ferromagnetism is driven by a double-exchange mechanism involving itinerant $e_g$ electrons, while its final strength is hampered by antiferromagnetic contributions due to the superexchange of localized $t_{2g}$ electrons. Multi-scale simulations based on atomistic spin dynamics show that the thinnest superlattices, $n=2,4$, possess an ordering temperature that is at least comparable to that of La$_{2/3}$Sr$_{1/3}$MnO$_3$. Conversely, as thickness increases, a two-phase behavior emerges, where the SrMnO$_3$ region loses long-range order faster than the LaMnO$_3$ region. While the global ordering temperature increases together with thickness, we argue that the high-temperature regime for the observed two-phase behavior is not representative of the real physical system, which will undergo a combined electronic, magnetic and structural phase transition as soon as the long-range order is lost inside the SrMnO$_3$ region. This study provides insights into the emergent magnetic phases and transition temperatures relevant to oxide heterostructures.

cond-mat.str-el↗

arXiv2025

Possible Bose-Einstein condensation of magnons in a S = 5/2 honeycomb lattice

Quantum magnets offer a unique platform for exploring exotic quantum phases and quantum phase transitions through external magnetic fields. A prominent example is the field-induced Bose--Einstein condensation (BEC) of magnons near the saturation field. While this behavior has been observed in low-spin systems, its realization in high-spin, quasi-two-dimensional magnets -- where multiple on-site excitations are possible -- remains exceptionally rare. Here, we report thermodynamic and density functional theory results on single crystals of the honeycomb-lattice antiferromagnet K$_{4}$MnMo$_{4}$O$_{15}$ with $S = 5/2$. The system undergoes a field-induced transition to a fully polarized state at the critical field $μ_{0}H_{\rm s} = 6.4$~T. Our results reveal possible thermodynamic signatures of magnon BEC, $T_{\mathrm{N}} \sim (H_{\rm s} - H)^{2/d}$ ($d = 3$), expanding the purview of BEC-driven quantum criticality to a high-spin, quasi-two-dimensional antiferromagnets with negligibly small anisotropy.

cond-mat.str-el↗

arXiv2025

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↗

arXiv2025

Quasidegenerate charge-density wave states in 1T-TiSe$_2$

Transition metal dichalcogenides have been actively studied for their intriguing charge density wave (CDW) formations and their impacts on material properties. Among these, 1T-TiSe$_2$ is well-known to exhibit a 2$\times$2$\times$2 CDW state transition at 200 K, but its true ground state nature remains under debate. In this study, we investigate possible CDW states in 1T-TiSe$_2$ and their consequences for transport properties by employing first-principles electronic structure calculations and angle-resolved photoemission spectroscopy. We identify seven distinct types of 2$\times$2$\times$2 CDW phases, most of which have not been reported previously. All of these phases are nearly degenerate in energy with each other ($< 1.41$ meV per formula unit). Using the band unfolding technique, we compare the electronic band structures of these CDW phases with experimental angle-resolved photoemission spectroscopy data. Our findings support the presence of a possible second phase transition at 165 K and suggest a new intermediate CDW order between 165 and 200 K that was previously unexplored. This result provides a possible resolution to the conflict between previous reports on the ground state symmetry of 1T-TiSe$_2$, and opens a viable route to phase engineering of 1T-TiSe$_2$ for functional applications.

cond-mat.mtrl-sci↗

arXiv2025

Dynamics of one-dimensional spin models via complex-time evolution of tensor networks

Studying the real-time dynamics of strongly correlated systems poses significant challenges, which have recently become more manageable thanks to advances in density matrix renormalization group (DMRG) and tensor network methods. A notable development in this area is the introduction of a complex-time evolution scheme for tensor network states, originally suggested for solving Anderson impurity model and designed to suppress the growth of entanglement under time evolution. In this study, we employ the complex-time evolution scheme to investigate the dynamics of one-dimensional spin systems, specifically the transverse-field Ising model (TFIM) and the XXZ model. Our analysis revisits the dynamic critical exponent $z$ of the TFIM and explores the dynamical structure factor in both gapped and gapless states of the XXZ model. Importantly, the complex-time evolution reproduces the results of real-time evolution while mitigating the rapid growth of quantum entanglement typically associated with the latter. These results demonstrate that the combination of complex-time evolution and extrapolation provides a robust and efficient framework for studying the dynamics of complex quantum systems, enabling more comprehensive insights into their behavior.

cond-mat.str-el↗

arXiv2025

Spin dynamics and 1/3 magnetization plateau in a coupled distorted diamond chain compound K2Cu3(MoO4)4

We investigate magnetic properties of the $s$ = 1/2 compound K$_{2}$Cu$_{3}$(MoO$_{4}$)$_{4}$ by combining magnetic susceptibility, magnetization, specific heat, and electron spin resonance (ESR) with density functional calculations. Its monoclinic structure features alternating Cu$^{2+}$ ($s$ = 1/2) monomers and edge-shared dimers linked by MoO$_{4}$ units, forming a distorted diamond chain along the $a$-axis. Antiferromagnetic order occurs at $T_{\rm N}$ = 2.3 K, as evident from a $λ$-type anomaly in specific heat and magnetic susceptibility derivatives. Inverse magnetic susceptibility reveals coexisting ferro- and antiferromagnetic interactions. Specific heat and ESR data show two characteristic temperatures: one at 20 K, associated with spin-singlet formation in Cu$_{2}$O$_{9}$ dimers, and another at 3.68 K, indicating short-range correlations between dimers and monomers. Magnetization measurements reveal a metamagnetic transition at 2.6 T and a critical magnetic field $μ_{0}H_{c}$ = 3.4 T, where a 1/3 magnetization plateau emerges with saturation near 0.35 $μ_{\rm B}$. Low-temperature specific heat and magnetization data reveal the suppression of long-range order at $μ_{0}H_{c}$, enabling the construction of a temperature-magnetic field phase diagram showing multiple magnetic phases near the $μ_{0}H_{c}$. Density functional theory confirms a distorted diamond chain with $J_{1}$ dimers and competing $J_2$, $J_4$, $J_3$, and $J_5$ interactions with monomer spins as an effective low-temperature spin model.

cond-mat.str-el↗

arXiv2024

Stacking of charge-density waves in 2H-NbSe$_2$ bilayers

We employ ab-initio electronic structure calculations to investigate the charge-density waves and periodic lattice distortions in bilayer 2H-NbSe$_2$. We demonstrate that the vertical stacking can give rise to a variety of patterns that may lower the symmetry of the charge-density waves exhibited separately by the two composing 1H-NbSe$_2$ monolayers. The general tendency to a spontaneous symmetry breaking observed in the ground state and the first excited states is shown to originate from a non-negligible inter-layer coupling. Simulated images for scanning tunnelling microscopy (STM) as well as diffraction/scattering patterns show signatures of the different stacking orders. This may not only be useful to reinterpret past experiments on surfaces and thin films, but may also be exploited to devise ad-hoc experiments for the investigation of the stacking order in 2H-NbSe$_2$. We anticipate that our analysis does not only apply to the 2H-NbSe$_2$ bilayer, but is also relevant for thin films and bulk, whose smallest centro-symmetric component is indeed the bilayer. Finally, our results illustrate clearly that the vertical stacking is not only important for 1T structures, as exemplified by the metal-to-insulator transition observed in 1T-TaS$_2$, but seems to be a general feature of metallic layered transition metal dichalcogenides as well.

cond-mat.str-el↗

arXiv2024

Emergence of flat bands and ferromagnetic fluctuations via orbital-selective electron correlations in Mn-based kagome metal

Kagome lattice has been actively studied for the possible realization of frustration-induced two-dimensional flat bands and a number of correlation-induced phases. Currently, the search for kagome systems with a nearly dispersionless flat band close to the Fermi level is ongoing. Here, by combining theoretical and experimental tools, we present Sc$_3$Mn$_3$Al$_7$Si$_5$ as a novel realization of correlation-induced almost-flat bands in the kagome lattice in the vicinity of the Fermi level. Our magnetic susceptibility, $^{27}$Al nuclear magnetic resonance, transport, and optical conductivity measurements provide signatures of a correlated metallic phase with tantalizing ferromagnetic instability. Our dynamical mean-field calculations suggest that such ferromagnetic instability observed originates from the formation of nearly flat dispersions close to the Fermi level, where electron correlations induce strong orbital-selective renormalization and manifestation of the kagome-frustrated bands. In addition, a significant negative magnetoresistance signal is observed, which can be attributed to the suppression of flat-band-induced ferromagnetic fluctuation, which further supports the formation of flat bands in this compound. These findings broaden a new prospect to harness correlated topological phases via multiorbital correlations in 3$d$-based kagome systems.

cond-mat.str-el↗

arXiv2024

Spin-orbit entangled moments and magnetic exchange interactions in cobalt-based honeycomb magnets BaCo$_2$($X$O$_4$)$_2$ ($X$ = P, As, Sb)

Co-based honeycomb magnets have been actively studied recently for the potential realization of emergent quantum magnetism therein such as the Kitaev spin liquid. Here we employ density functional and dynamical mean-field theory methods to examine a family of the Kitaev magnet candidates BaCo$_2$($X$O$_4$)$_2$ ($X$ = P, As, Sb), where the compound with $X$ = Sb being not synthesized yet. Our study confirms the formation of Mott insulating phase and the $J_{\rm eff}$ = 1/2 spin moments at Co$^{2+}$ sites despite the presence of a sizable amount of trigonal crystal field in all three compounds. The pnictogen substitution from phosphorus to antimony significantly changes the in-plane lattice parameters and direct overlap integral between the neighboring Co ions, leading to the suppression of the Heisenberg interaction. More interestingly, the marginal antiferromagnetic nearest-neighbor Kitaev term changes sign into a ferromagnetic one and becomes sizable at the $X$ = Sb limit. Our study suggests that the pnictogen substitution can be a viable route to continuously tune magnetic exchange interactions and to promote magnetic frustration for the realization of potential spin liquid phases in BaCo$_2$($X$O$_4$)$_2$.

cond-mat.str-el↗

arXiv2024

Partial molecular orbitals in face-sharing 3$d$ manganese trimer: Comparative studies on Ba$_{4}$TaMn$_{3}$O$_{12}$ and Ba$_{4}$NbMn$_{3}$O$_{12}$

We present a molecular orbital candidate Ba$_{4}$TaMn$_{3}$O$_{12}$ with a face-sharing octahedra trimer, by comparing it with a related compound Ba$_{4}$NbMn$_{3}$O$_{12}$. The synthesis of the polycrystalline powder is optimized by suppressing the secondary impurity phase via x-ray diffraction. Magnetic susceptibility measurements on the optimized samples reveal a weak magnetic hysteresis with magnetic transitions consistent with heat capacity results. The effective magnetic moments from susceptibility indicate a strongly coupled $S=2$ antiferromagnetic trimer at around room temperature, whereas the estimated magnetic entropy from heat capacity suggests the localized $S=3/2$ timer. These results can be explainable by a partial molecular orbital state, in which three $t_{2g}$ electrons are localized in each Mn ion and one $e_{g}$ electron is delocalized over two-end Mn ions of the trimer based on density functional theory calculations. This unconventional 3$d$ orbital state is comprehended as a consequence of competition between the hybrid interatomic orbitals within the Mn trimer and the local moment formation by on-site Coulomb correlations.

cond-mat.str-el↗

arXiv2023

Emergent half-metal with mixed structural order in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices

Using first-principles techniques, we study the structural, magnetic and electronic properties of (111)-oriented (LaMnO$_3$)$_{2n}$$\vert$(SrMnO$_3$)$_{n}$ superlattices of varying thickness ($n=2,4,6$). We find that the properties of the thinnest superlattice ($n=2$) are similar to the celebrated half-metallic ferromagnetic alloy La$_{2/3}$Sr$_{1/3}$MnO$_3$, with quenched Jahn-Teller distortions. At intermediate thickness ($n=4$), the $a^{-}a^{-}a^{-}$ tilting pattern transitions to the $a^{-}a^{-}c^{+}$ tilting pattern, driven by the lattice degrees of freedom in the LaMnO$_3$ region. The emergence of the Jahn-Teller modes and the spatial extent needed for their development play a key role in this structural transition. For the largest thickness considered ($n=6$), we unveil an emergent separation of Jahn-Teller and volume-breathing orders in the ground-state structure with the $a^{-}a^{-}c^{+}$ tilting pattern, whereas it vanishes in the antiferromagnetic configurations. The ground state of all superlattices is half-metallic ferromagnetic, not affected by the underlying series of structural transitions. Overall, these results outline a thickness-induced crossover between the physical properties of bulk La$_{2/3}$Sr$_{1/3}$MnO$_3$ and bulk LaMnO$_3$.

cond-mat.mtrl-sci↗

arXiv2023

Collective magnetic Higgs excitation in a pyrochlore ruthenate

The emergence of scalar Higgs-type amplitude modes in systems where symmetry is spontaneously broken has been a highly successful, paradigmatic description of phase transitions, with implications ranging from high-energy particle physics to low-energy condensed matter systems. Here, we uncover two successive high temperature phase transitions in the pyrochlore magnet Nd$_2$Ru$_2$O$_7$ at $T_{\mathrm{N}} = 147$ K and $T^* = 97$ K, that lead to giant phonon instabilities and culminate in the emergence of a highly coherent excitation. This coherent excitation, distinct from other phonons and from conventional magnetic modes, stabilizes at a low energy of 3 meV. We assign it to a collective Higgs-type amplitude mode, that involves bond energy modulations of the Ru$_4$ tetrahedra. Its striking two-fold symmetry, incompatible with the underlying crystal structure, highlights the possibility of multiple entangled broken symmetries.

cond-mat.str-el↗

arXiv2023

Epitaxially strained ultrathin LaNiO$_3$/LaAlO$_3$ and LaNiO$_3$/SrTiO$_3$ superlattices: a density functional theory + $U$ study

By employing first-principles electronic structure calculations we investigate nickelate superlattices [LaNiO$_3$]$_1$/[LaAlO$_3$]$_1$ and [LaNiO$_3$]$_1$/[SrTiO$_3$]$_1$ with (001) orientation under epitaxial tensile strain. Within density functional theory augmented by mean-field treatement of on-site electronic correlations, the ground states show remarkable dependence on the correlation strength and the strain. In the weakly and intermediately correlated regimes with small epitaxial strain, the charge-disproportionated insulating states with antiferromagneitc order is favored over the other orbital and spin ordered phases. On the other hand, in the strongly correlated regime or under the large tensile strain, ferromagnetic spin states with Jahn-Teller orbital order become most stable. The effect from polar interfaces in LaNiO$_3$]$_1$/[SrTiO$_3$]$_1$ is found to be noticeable in our single-layered geometry. Detailed discussion is presented in comparison with previous experimental and theoretical studies.

cond-mat.str-el↗

arXiv2023

Field-controlled quantum anomalous Hall effect in electron-doped CrSiTe$_{ 3 }$ monolayer: a first-principles prediction

We report Chern insulating phases emerging from a single layer of layered chalcogenide CrSiTe$_{3}$, a transition metal trichacogenides (TMTC) material, in the presence of charge doping. Due to strong hybridization with Te $p$ orbitals, the spin-orbit coupling effect opens a finite band gap, leading to a nontrivial topology of the Cr $e_{\mathrm{g}}$ conduction band manifold with higher Chern numbers. Our calculations show that quantum anomalous Hall effects can be realized by adding one electron in a formula unit cell of Cr$_{2}$Si$_{2}$Te$_{6}$, equivalent to electron doping by 2.36$\times$10$^{14}$ cm$^{-2}$ carrier density. Furthermore, the doping-induced anomalous Hall conductivity can be controlled by an external magnetic field via spin-orientation-dependent tuning of the spin-orbit coupling. In addition, we find distinct quantum anomalous Hall phases employing tight-binding model analysis, suggesting that CrSiTe$_{3}$ can be a fascinating new platform to realize Chern insulating systems with higher Chern numbers.

cond-mat.mtrl-sci↗