arXiv subjects

Jinsoo Park

Publications and source records attributed to Jinsoo Park.

At least 19 recordsLinked to original sources

arXiv2026

Strain-Tunable Spin Relaxation in Germanium from First Principles

Germanium is a leading platform for semiconductor spin qubits and spintronics. Yet its electron and hole spin dynamics remain understood primarily through phenomenological models. Here, we predict electronic transport and spin relaxation in bulk Ge entirely from first principles, combining hybrid-functional band structures with fully relativistic electron-phonon ($e$-ph) interactions. Without empirical parameters, we predict carrier mobilities, velocity-field curves, and electron and hole spin relaxation times in close agreement with experiments over 100$-$400 K. By resolving spin-flip scattering by valley and phonon mode, we identify the microscopic mechanisms governing spin relaxation and show that spin and momentum relaxation, although both mediated by $e$-ph scattering, are controlled by distinct processes. We further show that compressive biaxial strain enhances the hole spin lifetime by up to two orders of magnitude at 5% strain, through strain-induced valence-band splitting and suppressed spin mixing. This mechanism is directly relevant to Ge-on-Si devices, where strain provides a practical route to engineering long-lived hole spins for quantum technologies.

cond-mat.mtrl-sci↗

arXiv2026

First-principles cumulant approach to the vibronic structure of spin defects

Color centers in wide-band-gap semiconductors are leading platforms for solid-state quantum technologies, yet a quantitative description of their vibronic structure has remained elusive due to the complexity of multi-phonon processes in localized defect states. Here we present a first-principles Green's function framework based on the retarded cumulant ansatz (RCA) to describe electron-phonon interactions in spin defects; our approach goes beyond the adiabatic and lowest-order perturbation theory approximations underlying widely used approaches. Applied to the negatively charged nitrogen-vacancy (NV$^-$) center in diamond, our method reveals that multi-phonon satellites persist over a 400 meV energy window even at zero temperature, driven by quantum zero-point fluctuations. We demonstrate that accurate spectral functions require mode-, momentum-, spin-, and orbital-resolved electron-phonon matrix elements sampled across the full Brillouin zone, to account for hybridized and propagating phonon channels. We find that the vibronic structure of the NV$^-$ center exhibits strong spin and orbital anisotropy, with different orbitals coupling to qualitatively distinct parts of the phonon spectrum, and spin-selective coupling affecting both sideband positions and intensities.

cond-mat.mtrl-sci↗

arXiv2026

Diversity-aware View Partitioning for Scalable VGGT

Geometry transformers such as VGGT achieve strong performance by jointly reasoning over multiple views with global attention. However, scaling them to large view collections remains challenging due to the quadratic cost of attention. Moreover, our empirical analysis reveals that the reconstruction quality in VGGT is sensitive to the distribution of viewpoints. Simply increasing the number of views without sufficient viewpoint diversity can even degrade performance, as redundant views introduce highly similar tokens that dilute informative geometric signals in the attention mechanism. Motivated by this observation, we propose a training-free and plug-and-play VGGT inference framework that organizes views into diversity-aware balanced chunks. The chunks are constructed through combinatorial graph partitioning over visual dissimilarity and spatial dispersion. This view organization allows the transformer to focus attention on geometrically informative views while reducing redundant attention interactions. To estimate spatial dispersion without full pose estimation, we approximate spatial relationships via a soft pose propagation strategy based on visual similarity from a small set of seed frames. Extensive experiments demonstrate improved performance in camera pose estimation, multi-view depth prediction, and 3D reconstruction while reducing memory usage and inference latency. Our framework also complements existing VGGT variants, enabling scalable multi-view reconstruction without sacrificing geometric fidelity.

cs.CV↗

arXiv2026

Anti-Prompt: Image Protection against Text-Guided Image-to-Video Generation

Recent advances in Image-to-Video generation allow a single image to be animated into a convincing video under text guidance, raising serious copyright and privacy risks. We propose Anti-Prompt, an image protection approach that injects imperceptible perturbations into an image, inducing visible inconsistencies and structural failures in text-guided I2V generation. Our method is motivated by a simple empirical observation. When text guidance is removed from modern I2V models, generation quality degrades markedly, not only in motion realism but also in subject preservation, structural coherence, and temporal consistency. Building on this insight, Anti-Prompt exploits the model reliance on textual guidance by attenuating text-conditioned interactions during denoising while strengthening visual-only pathways. To further systematically evaluate protection effectiveness, we introduce a Video-LLM-assisted evaluation protocol that provides interpretable, frame-grounded analyses of generation artifacts and inconsistencies. Experiments on two representative I2V architectures demonstrate that our method achieves strong protection performance while improving efficiency and cross-model transferability.

cs.CV↗

arXiv2025

Magnetotransport in Topological Materials and Nonlinear Hall Effect via First-Principles Electronic Interactions and Band Topology

Topological effects arising from the Berry curvature lead to intriguing transport signatures in quantum materials. Two such phenomena are the chiral anomaly and nonlinear Hall effect (NLHE). A unified description of these transport regimes requires a quantitative treatment of both band topology and electron scattering. Here, we show accurate predictions of the magnetoresistance in topological semimetals and NLHE in noncentrosymmetric materials by solving the Boltzmann transport equation (BTE) with electron-phonon ($e$-ph) scattering and Berry curvature computed from first principles. We apply our method to study magnetotransport in a prototypical Weyl semimetal, TaAs, and the NLHE in strained monolayer WSe$_2$, bilayer WTe$_2$ and bulk BaMnSb$_2$. In TaAs, we find a chiral contribution to the magnetoconductance which is positive and increases with magnetic field, consistent with experiments. We show that $e$-ph interactions can significantly modify the Berry curvature dipole and its dependence on temperature and Fermi level, highlighting the interplay of band topology and electronic interactions in nonlinear transport. The computed nonlinear Hall response in BaMnSb$_2$ is in agreement with experiments. By adding the Berry curvature to first-principles transport calculations, our work advances the quantitative analysis of a wide range of linear and nonlinear transport phenomena in quantum materials.

cond-mat.mtrl-sci↗

arXiv2025

First-Principles Framework for the Prediction of Intersystem Crossing Rates in Spin Defects: The Role of Electron Correlation

Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical spin-polarization cycle used to address spin defects. Considering the nitrogen-vacancy center in diamond as a case study, we demonstrate that our framework effectively captures electron correlation effects in the calculation of many-body electronic states and their spin-orbit coupling and electron-phonon interactions, while systematically addressing finite-size effects. We validate our predictions by carrying out measurements of fluorescence lifetimes, finding excellent agreement between theory and experiments. The framework presented here provides a versatile and robust tool for exploring the optical cycle of varied spin defects entirely from first principles.

cond-mat.mtrl-sci↗

arXiv2024

Data-driven compression of electron-phonon interactions

First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these techniques use large matrices encoding the interactions on dense momentum grids, which reduces computational efficiency and obscures interpretability. For e-ph interactions, existing interpolation techniques leverage locality in real space, but the high dimensionality of the data remains a bottleneck to balance cost and accuracy. Here we show an efficient way to compress e-ph interactions based on singular value decomposition (SVD), a widely used matrix / image compression technique. Leveraging (un)constrained SVD methods, we accurately predict material properties related to e-ph interactions - including charge mobility, spin relaxation times, band renormalization, and superconducting critical temperature - while using only a small fraction (1-2%) of the interaction data. These findings unveil the hidden low-dimensional nature of e-ph interactions. Furthermore, they accelerate state-of-the-art first-principles e-ph calculations by about two orders of magnitudes without sacrificing accuracy. Our Pareto-optimal parametrization of e-ph interactions can be readily generalized to electron-electron and electron-defect interactions, as well as to other couplings, advancing quantitative studies of condensed matter.

cond-mat.mtrl-sci↗

arXiv2024

First-Principles Electron-Phonon Interactions and Polarons in the Parent Cuprate La$_2$CuO$_4$

Understanding electronic interactions in high-temperature superconductors is an outstanding challenge. In the widely studied cuprate materials, experimental evidence points to strong electron-phonon ($e$-ph) coupling and broad photoemission spectra. Yet, the microscopic origin of this behavior is not fully understood. Here we study $e$-ph interactions and polarons in a prototypical parent (undoped) cuprate, La$_2$CuO$_4$ (LCO), by means of first-principles calculations. Leveraging parameter-free Hubbard-corrected density functional theory, we obtain a ground state with band gap and Cu magnetic moment in nearly exact agreement with experiments. This enables a quantitative characterization of $e$-ph interactions. Our calculations reveal two classes of longitudinal optical (LO) phonons with strong $e$-ph coupling to hole states. These modes consist of Cu-O plane bond-stretching and bond-bending as well as vibrations of apical O atoms. The hole spectral functions, obtained with a cumulant method that can capture strong $e$-ph coupling, exhibit broad quasiparticle peaks with a small spectral weight ($Z\approx0.25$) and pronounced LO-phonon sidebands characteristic of polaron effects. Our calculations predict features observed in photoemission spectra, including a 40-meV peak in the $e$-ph coupling distribution function not explained by existing models. These results show that the universal strong $e$-ph coupling found experimentally in lanthanum cuprates is an intrinsic feature of the parent compound, and elucidates its microscopic origin.

cond-mat.mtrl-sci↗

arXiv2023

Dominant two-dimensional electron-phonon interactions in the bulk Dirac semimetal Na3Bi

Bulk Dirac semimetals (DSMs) exhibit unconventional transport properties and phase transitions due to their peculiar low-energy band structure. Yet the electronic interactions governing nonequilibrium phenomena in DSMs are not fully understood. Here we show that electron-phonon (e-ph) interactions in a prototypical bulk DSM, Na3Bi, are predominantly two-dimensional (2D). Our first-principles calculations discover a 2D optical phonon with strong e-ph interactions associated with in-plane vibrations of Na atoms. We show that this 2D mode governs e-ph scattering and charge transport in Na3Bi, and induces a dynamical phase transition to a Weyl semimetal. Our work advances quantitative analysis of electron interactions in topological semimetals and reveals dominant low-dimensional interactions in bulk quantum materials.

cond-mat.mtrl-sci↗

arXiv2022

Predicting Phonon-Induced Spin Decoherence from First Principles: Colossal Spin Renormalization in Condensed Matter

Developing a microscopic understanding of spin decoherence is essential to advancing quantum technologies. Electron spin decoherence due to atomic vibrations (phonons) plays a special role as it sets an intrinsic limit to the performance of spin-based quantum devices. Two main sources of phonon-induced spin decoherence - the Elliott-Yafet (EY) and Dyakonov-Perel (DP) mechanisms - have distinct physical origins and theoretical treatments. Here we show calculations that unify their modeling and enable accurate predictions of spin relaxation and precession in semiconductors. We compute the phonon-dressed vertex of the spin-spin correlation function, with a treatment analogous to the calculation of the anomalous electron magnetic moment in QED. We find that the vertex correction provides a giant renormalization of the electron spin dynamics in solids, greater by many orders of magnitude than the corresponding correction in vacuum. Our work demonstrates a general approach for quantitative analysis of spin decoherence in materials, advancing the quest for spin-based quantum technologies.

cond-mat.mtrl-sci↗

arXiv2022

Many-body theory of phonon-induced spin relaxation and decoherence

First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit interaction causes various dynamical phenomena that couple with phonons, such as spin precession and spin-flip e-ph scattering, which are difficult to describe with current first-principles calculations. In this work, we show a rigorous framework to study phonon-induced spin relaxation and decoherence, by computing the spin-spin correlation function and its vertex corrections due to e-ph interactions. We apply this approach to a model system and develop corresponding first-principles calculations of spin relaxation in GaAs. Our vertex-correction formalism is shown to capture the Elliott-Yafet, Dyakonov-Perel, and strong-precession mechanisms - three independent spin decoherence regimes with distinct physical origins - thereby unifying their theoretical treatment and calculation. Our method is general and enables quantitative studies of spin relaxation, decoherence, and transport in a wide range of materials and devices.

cond-mat.mtrl-sci↗

arXiv2022

The Davis-Chandrasekhar-Fermi Method Revisited

Despite the rich observational results on interstellar magnetic fields in star-forming regions, it is still unclear how dynamically significant the magnetic fields are at varying physical scales, because direct measurement of the field strength is observationally difficult. The Davis-Chandrasekhar-Fermi (DCF) method has been the most commonly used method to estimate the magnetic field strength from polarization data. It is based on the assumption that gas turbulent motion is the driving source of field distortion via linear Alfvén waves. In this work, using MHD simulations of star-forming clouds, we test the validity of the assumption underlying the DCF method by examining its accuracy in the real 3D space. Our results suggest that the DCF relation between turbulent kinetic energy and magnetic energy fluctuation should be treated as a statistical result instead of a local property. We then develop and investigate several modifications to the original DCF method using synthetic observations, and propose new recipes to improve the accuracy of DCF-derived magnetic field strength. We further note that the biggest uncertainty in the DCF analysis may come from the linewidth measurement instead of the polarization observation, especially since the line-of-sight gas velocity can be used to estimate the gas volume density, another critical parameter in the DCF method.

astro-ph.GA↗

arXiv2021

First-principles ionized-impurity scattering and charge transport in doped materials

Scattering of carriers with ionized impurities governs charge transport in doped semiconductors. However, electron interactions with ionized impurities cannot be fully described with quantitative first-principles calculations, so their understanding relies primarily on simplified models. Here we show an ab initio approach to compute the interactions between electrons and ionized impurities or other charged defects. It includes the short- and long-range electron-defect (e-d) interactions on equal footing, and allows for efficient interpolation of the e-d matrix elements. We combine the e-d and electron-phonon interactions in the Boltzmann transport equation to compute the carrier mobilities in doped silicon over a wide range of temperature and doping concentrations, spanning seamlessly the defect- and phonon-limited transport regimes. The individual contributions of the defect- and phonon-scattering mechanisms to the carrier relaxation times and mean-free paths are analyzed. Our method provides a powerful tool to study electronic interactions in doped materials. It broadens the scope of first-principles transport calculations, enabling studies of a wide range of doped semiconductors and oxides with application to electronics, energy and quantum technologies.

cond-mat.mtrl-sci↗

arXiv2021

Ab initio electron dynamics in high electric fields: accurate predictions of velocity-field curves

Electron dynamics in external electric fields governs the behavior of solid-state electronic devices. First-principles calculations enable precise predictions of charge transport in low electric fields. However, studies of high-field electron dynamics remain elusive due to a lack of accurate and broadly applicable methods. Here we develop an efficient approach to solve the real-time Boltzmann transport equation with both the electric field term and ab initio electron-phonon collisions. These simulations provide field-dependent electronic distributions in the time domain, allowing us to investigate both transient and steady-state transport in electric fields ranging from low to high (>10 kV/cm). The broad capabilities of our approach are shown by computing nonequilibrium electron occupations and velocity-field curves in Si, GaAs, and graphene, obtaining results in quantitative agreement with experiment. Our approach sheds light on microscopic details of transport in high electric fields, including dominant scattering mechanisms and valley occupation dynamics. Our results demonstrate quantitatively accurate calculations of electron dynamics in low-to-high electric fields, with broad application to power- and micro-electronics, optoelectronics, and sensing.

cond-mat.mtrl-sci↗

arXiv2021

Ab initio electron-phonon interactions in correlated electron systems

Electron-phonon ($e$-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons and metal-insulator transitions. First-principles approaches enable accurate calculations of $e$-ph interactions in a wide range of solids. However, they remain an open challenge in correlated electron systems (CES), where density functional theory often fails to describe the ground state. Therefore reliable $e$-ph calculations remain out of reach for many transition metal oxides, high-temperature superconductors, Mott insulators, planetary materials and multiferroics. Here we show first-principles calculations of $e$-ph interactions in CES, using the framework of Hubbard-corrected density functional theory (DFT+$U$ ) and its linear response extension (DFPT+$U$), which can describe the electronic structure and lattice dynamics of many CES. We showcase the accuracy of this approach for a prototypical Mott system, CoO, carrying out a detailed investigation of its $e$-ph interactions and electron spectral functions. While standard DFPT gives unphysically divergent and short-ranged $e$-ph interactions, DFPT+$U$ is shown to remove the divergences and properly account for the long-range Fröhlich interaction, allowing us to model polaron effects in a Mott insulator. Our work establishes a broadly applicable and affordable approach for quantitative studies of e-ph interactions in CES, a novel theoretical tool to interpret experiments in this broad class of materials.

cond-mat.mtrl-sci↗

arXiv2020

Long-range quadrupole electron-phonon interaction from first principles

Lattice vibrations in materials induce perturbations on the electron dynamics in the form of long-range (dipole and quadrupole) and short-range (octopole and higher) potentials. The dipole Fröhlich term can be included in current first-principles electron-phonon ($e$-ph) calculations and is present only in polar materials. The quadrupole $e$-ph interaction is present in both polar and nonpolar materials, but currently it cannot be computed from first principles. Here we show an approach to compute the quadrupole $e$-ph interaction and include it in ab initio calculations of $e$-ph matrix elements. The accuracy of the approach is demonstrated by comparing with direct density functional perturbation theory calculations. We apply our method to silicon as a case of a nonpolar semiconductor and tetragonal PbTiO$_3$ as a case of a polar piezoelectric material. In both materials we find that the quadrupole term strongly impacts the $e$-ph matrix elements. Analysis of $e$-ph interactions for different phonon modes reveals that the quadrupole term mainly affects optical modes in silicon and acoustic modes in PbTiO$_3$, although the quadrupole term is needed for all modes to achieve quantitative accuracy. The effect of the quadrupole $e$-ph interaction on electron scattering processes and transport is shown to be important. Our approach enables accurate studies of $e$-ph interactions in broad classes of nonpolar, polar and piezoelectric materials.

cond-mat.mtrl-sci↗

arXiv2020

Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN

First-principles calculations of $e$-ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) $e$-ph interaction, a long-range scattering mechanism due to acoustic phonons in non-centrosymmetric polar materials, is not accurately described at present. Current calculations include short-range $e$-ph interactions (obtained by interpolation) and the dipole-like Fröhlich long-range coupling in polar materials, but lack important quadrupole effects for acoustic modes and PE materials. Here we derive and compute the long-range $e$-ph interaction due to dynamical quadrupoles, and apply this framework to investigate $e$-ph interactions and the carrier mobility in the PE material wurtzite GaN. We show that the quadrupole contribution is essential to obtain accurate $e$-ph matrix elements for acoustic modes and to compute PE scattering. Our work resolves the outstanding problem of correctly computing $e$-ph interactions for acoustic modes from first principles, and enables studies of $e$-ph coupling and charge transport in PE materials.

cond-mat.mtrl-sci↗

arXiv2020

Perturbo: a software package for ab initio electron-phonon interactions, charge transport and ultrafast dynamics

Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron-phonon interactions and can compute phonon-limited transport properties such as the conductivity, carrier mobility and Seebeck coefficient. It can also simulate the ultrafast nonequilibrium electron dynamics in the presence of electron-phonon scattering. Perturbo uses results from density functional theory and density functional perturbation theory calculations as input, and employs Wannier interpolation to reduce the computational cost. It supports norm-conserving and ultrasoft pseudopotentials, spin-orbit coupling, and polar electron-phonon corrections for bulk and 2D materials. Hybrid MPI plus OpenMP parallelization is implemented to enable efficient calculations on large systems (up to at least 50 atoms) using high-performance computing. Taken together, Perturbo provides efficient and broadly applicable ab initio tools to investigate electron-phonon interactions and carrier dynamics quantitatively in metals, semiconductors, insulators, and 2D materials.

cond-mat.mtrl-sci↗