arXiv subjects

Sejoong Kim

Publications and source records attributed to Sejoong Kim.

At least 19 recordsLinked to original sources

arXiv2026

Electronic Orbital Angular Momentum Driven by Finite-Momentum Phonons: Beyond Chiral and Axial Phonons

We show that finite-momentum phonons generate electronic orbital angular momentum (OAM) even without phonon axiality or chirality, with the response controlled by the phonon wave vector $q$ and frequency $\omega$. We develop a general gauge-field theory in which a unitary transformation absorbs the phonon displacement into emergent vector and scalar potentials acting on the electrons, providing a perturbative classification of the OAM response in $q$ and $\omega$. We derive $q$- and $\omega$-scaling laws for AC and DC responses. Notably, AC OAM arises even for linearly polarized phonons, with its magnitude and sign tunable by $q$. Its generation is governed by the matching between the phonon geometry and the electronic orbital texture rather than solely by the phonon angular momentum. The connection of the DC response to the electronic Berry curvature further supports that phonon angular momentum is not the only degree of freedom governing electronic OAM generation. Time-dependent tight-binding simulations under acoustic-phonon driving independently confirm the core predictions. Our results extend phonon-driven OAM beyond chiral and axial phonons and establish a wave-vector-tunable route to orbitronics, accessible with surface acoustic waves.

cond-mat.mes-hall↗

arXiv2026

Ultrafast Current Switching from Quantum Geometry in Semimetals

Technological progress towards next-generation electronics critically relies on achieving faster switching with reduced energy consumption. Because device operation speeds are fundamentally constrained by the intrinsic properties of constituent materials, identifying systems with inherently superior switching capabilities is essential. Here, we propose that semimetallic systems characterized by non-trivial quantum geometry, including quadratic band-touching semimetals and singular flat bands, can serve as a promising platform for ultrafast switching at voltages compatible with modern electronics. We show that, in such quantum geometric semimetals, an electric current is generated instantaneously upon application of a moderate external electric field, reaching its steady-state value. As a consequence, the current exhibits rapid and stable on-off switching behaviour under periodic optical pulse trains, demonstrating robustness under experimentally feasible conditions. In terms of switching speed, this quantum geometric semimetal outperforms conventional metals, semiconductors, and graphene. We identify the microscopic origin of this behaviour as interband coupling governed by the Hilbert-Schmidt quantum distance, together with a finite density of states at the band-touching point. This mechanism further leads to a universal classification of conductivity for both gapless and gapped quantum geometric semimetals. Finally, first-principles calculations suggest realistic material platforms, including bilayer graphene, cyclic graphene, monolayer bismuth and V3F8-in which the predicted instantaneous current switching can be directly realized, further supported by time-dependent density functional theory simulations performed for representative systems.

cond-mat.str-el↗

arXiv2026

High Photovoltaic Efficiency in Bulk-Stacked One-Dimensional GeSe$_{2}$ van der Waals Crystal

Germanium diselenide (GeSe$_{2}$) has recently attracted substantial interest as a rare example of one-dimensional (1D) van der Waals material. Here, we investigate the photovoltaic potential of bulk-stacked GeSe$_{2}$ chains using first-principles calculations within the $GW0$ approximation and the Bethe-Salpeter equation (BSE) to capture quasiparticle and excitonic effects. The bulk GeSe$_{2}$ exhibits indirect GW band gaps of 1.92 eV (type-I) and 1.08 eV (type-II). Optical calculations show markedly stronger visible-light absorption in type-II, yielding a spectroscopically limited maximum efficiency (SLME) of ~25.6% at a 0.5 $\mu$m thickness. Phonon and room-temperature ab initio molecular dynamics analyses indicate that type-II is dynamically stable, whereas type-I shows imaginary phonon modes, suggesting a propensity for structural distortion. These results identify type-II GeSe2 as a promising stable absorber for thin-film photovoltaics with enhanced flexibility compared to typical 2D vdW systems.

cond-mat.mtrl-sci↗

arXiv2026

Topological Protection by Local Support Symmetry and Destructive Interference

Conventionally, symmetry-protected topological phases and band crossings are protected by global symmetries acting on the entire system. Here, we show that symmetries preserved only on a partial region of a system, termed local support symmetries, can protect topological features of the full system, even in the presence of symmetry-breaking couplings. We establish a unified framework by deriving explicit conditions for such protection in both insulating and metallic phases and show that destructive interference of Bloch wave functions plays a key role. Using representative tight-binding models, we demonstrate band crossings and topological bands protected by local support crystalline and time-reversal symmetries, and further present a realistic material realization in a fluorinated biphenylene network, where a band crossing is protected by a local support C$_2$ symmetry.

cond-mat.str-el↗

arXiv2025

Enhancing LLMs' Clinical Reasoning with Real-World Data from a Nationwide Sepsis Registry

Although large language models (LLMs) have demonstrated impressive reasoning capabilities across general domains, their effectiveness in real-world clinical practice remains limited. This is likely due to their insufficient exposure to real-world clinical data during training, as such data is typically not included due to privacy concerns. To address this, we propose enhancing the clinical reasoning capabilities of LLMs by leveraging real-world clinical data. We constructed reasoning-intensive questions from a nationwide sepsis registry and fine-tuned Phi-4 on these questions using reinforcement learning, resulting in C-Reason. C-Reason exhibited strong clinical reasoning capabilities on the in-domain test set, as evidenced by both quantitative metrics and expert evaluations. Furthermore, its enhanced reasoning capabilities generalized to a sepsis dataset involving different tasks and patient cohorts, an open-ended consultations on antibiotics use task, and other diseases. Future research should focus on training LLMs with large-scale, multi-disease clinical datasets to develop more powerful, general-purpose clinical reasoning models.

cs.AI↗

arXiv2024

DFT+U+V Study of Magnetic Ordering in Single-Layer Pentahexoctite: Implications for Magnetic Device Platforms

In this work, we investigate the electronic and magnetic properties of single-layer pentahexoctite, a two-dimensional carbon allotrope patterned by pentagons, hexagons, and octagons. Using density functional theory (DFT) calculations incorporating on-site and intersite Coulomb interactions, we find that type-II Dirac Fermions are formed by a nearly flat band intersecting with a dispersive band at the Fermi level. We further examine the physical origin of nearly flat bands of pentahexoctite. Constructing ab initio tight-binding Hamiltonian based on Wannier functions, we reveal that nearly flat bands of pentahexoctite originate from quantum-mechanical destructive interference. Remarkably, our DFT calculations including extended Hubbard interactions show that hole doping induces a ferrimagnetic phase transition driven by the enhanced density of states in the nearly flat band. This finding highlights that monolayer pentahexoctite is a promising candidate for pristine all-carbon magnetic materials to serve as a platform for future magnetic and spintronic devices.

cond-mat.mes-hall↗

arXiv2024

Magnetic transitions of biphenylene network layers induced by external perturbations

We present a comprehensive investigation of the magnetic ordering in biphenylene network (BPN) layers, employing density functional theory (DFT) calculations under external perturbations, including uniaxial strains and hole doping. We compute fully relaxed structures, energy bands, and magnetic states by performing DFT calculations augmented with extended Hubbard interactions, encompassing both on-site and inter-site interactions, to accurately capture electron correlations. We emphasize the importance of the extended Hubbard forces by contrasting BPN layers with and without the forces. Our results reveal that in their fully relaxed structures, both BPN monolayer and bilayer are non-magnetic. We exploit external perturbations to induce magnetic ordering. The application of uniaxial strains induces magnetic phase transitions, leading to ferrimagnetic and antiferromagnetic states in BPN monolayer and bilayer, respectively. Additionally, we investigate hole doping as an alternative mechanism for inducing magnetic transitions. Our findings shed light on the tunability of magnetic properties in BPN layers through external perturbations, demonstrating the promise of low-dimensional materials in future spintronics and nanoelectronic applications.

cond-mat.mes-hall↗

arXiv2024

Construction of optimized tight-binding models using \textit{ab initio} Hamiltonian: Application to monolayer $2H$-transition metal dichalcogenides

We present optimized tight-binding models with atomic orbitals to improve \textit{ab initio} tight-binding models constructed by truncating full density functional theory (DFT) Hamiltonian based on localized orbitals. Retaining qualitative features of the original Hamiltonian, the optimization reduces quantitative deviations in overall band structures between the \textit{ab initio} tight-binding model and the full DFT Hamiltonian. The optimization procedure and related details are demonstrated by using semiconducting and metallic Janus transition metal dichalcogenides monolayers in the $2H$ configuration. Varying the truncation range from partial second neighbors to third ones, we show differences in electronic structures between the truncated tight-binding model and the original full Hamiltonian, and how much the optimization can remedy the quantitative loss induced by truncation. We further elaborate the optimization process so that local electronic properties such as valence and conduction band edges and Fermi surfaces are precisely reproduced by the optimized tight-binding model. We also extend our discussions to tight-binding models including spin-orbit interactions, so we provide the optimized tight-binding model replicating spin-related properties of the original Hamiltonian such as spin textures. The optimization process described here can be readily applied to construct the fine-tuned tight-binding model based on various DFT calculations.

cond-mat.mes-hall↗

arXiv2024

Engineering two-dimensional nodal semimetals in functionalized biphenylene by fluorine adatoms

We propose a new band engineering scheme on the biphenylene network, a newly synthesized carbon allotrope. First, we investigate the mechanism for the appearance of type II Dirac fermion in a pristine biphenylene network. We show that the essential ingredients are mirror symmetries and the stabilization of the compact localized eigenstates via destructive interference. While the former is used for the band-crossing point along high symmetry lines, the latter makes the obtained Dirac dispersion highly inclined. Then, we demonstrate that many other different kinds of Dirac fermions, such as type-I Dirac, gapped type-II Dirac, and nodal line semimetals, can be developed by fluorinating the biphenylene network periodically in various ways. In this program, the key role of the fluorine atoms is manipulating the condition of the destructive interference and mirror symmetries.

cond-mat.str-el↗

arXiv2022

A speech corpus for chronic kidney disease

In this study, we present a speech corpus of patients with chronic kidney disease (CKD) that will be used for research on pathological voice analysis, automatic illness identification, and severity prediction. This paper introduces the steps involved in creating this corpus, including the choice of speech-related parameters and speech lists as well as the recording technique. The speakers in this corpus, 289 CKD patients with varying degrees of severity who were categorized based on estimated glomerular filtration rate (eGFR), delivered sustained vowels, sentence, and paragraph stimuli. This study compared and analyzed the voice characteristics of CKD patients with those of the control group; the results revealed differences in voice quality, phoneme-level pronunciation, prosody, glottal source, and aerodynamic parameters.

cs.CL↗

arXiv2022

Magnetic Ordering, Anomalous Lifshitz Transition and Topological Grain Boundaries in Two-Dimensional Biphenylene Network

We study electronic properties of a new planar carbon crystal formed through networking biphenylene molecules. Novel electronic features among carbon materials such as zone-center saddle point and peculiar type-II Dirac fermionic states are shown to exist in the low energy electronic spectrum. The type-II state here has a nearly flat branch and is close to a transition to type-I. Possible magnetic instabilities related with low energy bands are discussed. Furthermore, with a moderate uniaxial strain, a pair of Dirac points merge with the zone center saddle point, realizing concurrent Lifshitz transitions of van Hove singularity as well as pair annihilation of the Dirac fermions. A new effective Hamiltonian encompassing all distinctive low energy states is constructed, revealing a finite winding number of the pseudo-spin texture around the Dirac point, quantized Zak phases, and topological grain boundary states.

cond-mat.mes-hall↗

arXiv2021

Dichotomy of saddle points in energy bands of a monolayer NbSe$_2$

We theoretically show that two distinctive spin textures manifest themselves around saddle points of energy bands in a monolayer NbSe$_2$ under external gate potentials. While the density of states at all saddle points diverge logarithmically, ones at the zone boundaries display a windmill-shaped spin texture while the others unidirectional spin orientations. The disparate spin-resolved states are demonstrated to contribute an intrinsic spin Hall conductivity significantly while their characteristics differ from each other.Based on a minimal but essential tight-binding approximation reproducing first-principles computation results, we established distinct effective Rashba Hamiltonians for each saddle point, realizing the unique spin textures depending on their momentum. Energetic positions of the saddle points in a single layer NbSe$_2$ are shown to be well controlled by a gate potential so that it could be a prototypical system to test a competition between various collective phenomena triggered by diverging density of states and their spin textures in low-dimension.

cond-mat.mes-hall↗

arXiv2020

Promising photovoltaic efficiency of a layered silicon oxide crystal Si$_{3}$O

Computational searching and screening of new functional materials exploiting earth abundant elements can accelerate developments of their energy applications. Based on a state-of-the-art materials search algorithm and ab initio calculations, we demonstrate a recently suggested stable silicon oxide with a layered structure (Si$_{3}$O) as an ideal photovoltaic material. With many-body first-principles approaches, the monolayer and layered bulk of Si$_{3}$O show direct quasiparticle gaps of 1.85 eV and 1.25 eV, respectively, while an optical gap of about 1.2 eV is nearly independent of the number of layers. Spectroscopic limited maximum efficiency (SLME) is estimated to be 27% for a thickness of 0.5 μm, making it a promising candidate for solar energy applications.

cond-mat.mtrl-sci↗

arXiv2017

Quasiparticle energy bands and Fermi surfaces of monolayer NbSe$_2$

A quasiparticle band structure of a single layer 2H-NbSe$_2$ is reported by using first-principles $GW$ calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape when comparing those using conventional mean-field calculation methods. Owing to a broken inversion symmetry in the trigonal prismatic single layer structure, the spin-orbit interaction is included and its impact on the Fermi surface and quasiparticle energy bands are discussed. We also calculate the doping dependent static susceptibilities from the band structures obtained by the mean-field calculation as well as $GW$ calculation with and without spin-orbit interactions. A complete tight-binding model is constructed within the three-band third nearest neighbour hoppings and is shown to reproduce our $GW$ quasiparticle energy bands and Fermi surface very well. Considering variations of the Fermi surface shapes depending on self-energy corrections and spin-orbit interactions, we discuss the formations of charge density wave (CDW) with different dielectric environments and their implications on recent controversial experimental results on CDW transition temperatures.

cond-mat.mes-hall↗

arXiv2015

A metallic mosaic phase and the origin of Mott insulating state in 1T-TaS2

Electron-electron and electron-phonon interactions are two major driving forces that stabilize various charge-ordered phases of matter. The intricate interplay between the two give rises to a peculiar charge density wave (CDW) state, which is also known as a Mott insulator, as the ground state of layered compound 1T-TaS2. The delicate balance also makes it possible to use external perturbations to create and manipulate novel phases in this material. Here, we study a mosaic CDW phase induced by voltage pulses from the tip of a scanning tunneling microscope (STM), and find that the new phase exhibit electronic structures that are entirely different from the Mott ground state of 1T-TaS2 at low temperatures. The mosaic phase consists of nanometer-sized domains characterized by well-defined phase shifts of the CDW order parameter in the topmost layer, and by altered stacking relative to the layer underneath. We discover that the nature of the new phases is dictated by the stacking order, and our results shed fresh light on the origin of the Mott phase in this layered compound.

cond-mat.mtrl-sci↗

arXiv2014

Gate-tunable Phase Transitions in 1T-TaS$_2$

The ability to tune material properties using gate electric field is at the heart of modern electronic technology. It is also a driving force behind recent advances in two-dimensional systems, such as gate-electric-field induced superconductivity and metal-insulator transition. Here we describe an ionic field-effect transistor (termed "iFET"), which uses gate-controlled lithium ion intercalation to modulate the material property of layered atomic crystal 1T-TaS$_2$. The extreme charge doping induced by the tunable ion intercalation alters the energetics of various charge-ordered states in 1T-TaS$_2$, and produces a series of phase transitions in thin-flake samples with reduced dimensionality. We find that the charge-density-wave states in 1T-TaS$_2$ are three-dimensional in nature, and completely collapse in the two-dimensional limit defined by their critical thicknesses. Meanwhile the ionic gating induces multiple phase transitions from Mott-insulator to metal in 1T-TaS$_2$ thin flakes at low temperatures, with 5 orders of magnitude modulation in their resistance. Superconductivity emerges in a textured charge-density-wave state induced by ionic gating. Our method of gate-controlled intercalation of 2D atomic crystals in the bulk limit opens up new possibilities in searching for novel states of matter in the extreme charge-carrier-concentration limit.

cond-mat.mtrl-sci↗

arXiv2013

Inelastic Current Noise in Nanoscale Systems: Scattering Theory Analysis

We present a scattering theory description for the inelastic current noise in the presence of electron-vibration interactions. In this description, we specify elastic and inelastic scattering contributions to the shot noise by examining charge transfers between scattering states and energy exchange between electrons and vibrations. The elastic and inelastic scattering processes are further decomposed into current correlations of electrons at the same energy and those of electrons at different energies. Focusing on the inelastic noise signals defined as steps in the voltage derivative of the shot noise, we show that single-channel systems have two ranges of transmission at which the inelastic noise signals exhibit the crossover between positive and negative signs. In a high transmission regime, even and odd vibrational modes of mirror-symmetric systems provide upper and lower bounds to the ratio of the inelastic noise signal to the conductance step. This can be a theoretical justification for models used to understand the recent noise experiment [Phys. Rev. Lett. 108, 146602 (2012)] and numerical calculations on gold atomic chains [Phys. Rev. B 86, 155411 (2012)].

cond-mat.mes-hall↗

arXiv2013

Scattering Theory Approach to Inelastic Transport in Nanoscale Systems

We present a scattering-state description for the non-equilibrium multichannel charge transport in the presence of electron-vibration couplings. It is based on an expansion of scattering orders of eigenchannel states. Examining charge transitions between scattering states, we clarifies competing inelastic and elastic scattering processes, and compare with the interpretation based on the non-equilibrium Green's functions formalism. We also derive a general expression for conductance variations in single-channel systems. It provides a comprehensive picture for the variation including the well-known result, the 0.5 rule, from the aspect of interplay between elastic and inelastic scattering processes.

cond-mat.mes-hall↗