MINT Lab | Publications

In Preparation

Spontaneous polarization in NaNbO₃ film on NdGaO₃ and DyScO₃ substrates

K Kang, SB Anooz, J Schwarzkopf, C Carbogno · Submitted

arXiv

C Keum, S Lee, H Lee, BH Jhun, Y You, K Kang*, W Jang*, S-Y Lee* · Submitted

S Zhao, K Kang*, M Scheffler · In Preparation

Ab initio-based Deep-Learning Prediction of Carrier Mobility in Strongly Anharmonic Materials

J Zhang, B Zhao, Y Li, Y Xu, H Zhang, K Kang*, M Scheffler · Submitted

arXiv

D-G Kim†, K Kang†, H Kang†, K Lee, Y Lee, J Park, J-E Jung, M Kim, M Jang, A Soon*, K Kim* · In Preparation

2026

[27] Roadmap on Advancements of the FHI-aims Software Package

JW Abbott, CM Acosta, A Akkoush, A Ambrosetti, V Atalla, ..., K Kang, ...

Electronic Structure (2026)

Open Scholar arXiv

[26] Temperature-dependent optical and magneto-optical spectra of ferromagnetic bcc Fe

K Kang, DG Cahill, A Schleife

Physical Review B 113, 184408 (2026)

Open Scholar arXiv

[25] Atomistic Insights into the Electrochemical Oxygen Evolution Activity of Hollandite IrO₂ Surfaces

S Lee, K Kang, T Lee, A Soon

Advanced Science 13, e14939 (2026)

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2025

[24] Accelerating the training and improving the reliability of machine-learned interatomic potentials for strongly anharmonic materials through active learning

K Kang, TAR Purcell, C Carbogno, M Scheffler

Physical Review Materials 9, 063801 (2025)

Open Scholar arXiv Code

[23] Birefringent Color Filter by Layered Metal‐Organic Chalcogenides: In‐Plane Anisotropy and Odd/Even Effect

Z Ye, J Zhao, K Kang, SJ McCormack, YT Shao, MY Efremov, A Schleife, ...

Advanced Optical Materials 13, 2570073 (2025)

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[22] Ultra-low thermal conductivity and high zT in multi-doped AgInSe₂: A high-entropy approach to n-type thermoelectric materials

S Acharya†, S Park†, K Kang†, W Jang, Y Shasho, J Lee, Y Choi, J Hwang, ...

Nano Energy 146, 111491 (2025)

Open Scholar

[21] Emergence of Local Magnetic Moment in Ternary TaWSe₂ Single Crystal via Atomic Clustering

NH Lam†, MN Huda†, K Kang†, JH Ko, Z Gai, YG Khim, YJ Chang, Y Choi, ...

Advanced Functional Materials 35, 2507738 (2025)

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[20] Superlattice of Self-Assembled Silver-Thiolates: The Formation of Unique Sublayers Induced by Mixed N-Alkyl Chains

J Zhao, Z Ye, Z Ji, A Sutrisno, K Kang, MY Efremov, JM Zuo, A Schleife, ...

Journal of the American Chemical Society 147, 38043 (2025)

Open Scholar

[19] Exploring materials data through collaboration: 2024 KRICT ChemDX Hackathon

SH Yoo, AKY Low, J Recatala-Gomez, H Sahu, ..., K Kang, ...

Journal of Materials Informatics 5, 54 (2025)

Open Scholar

2024

[18] Magnetic anisotropy in single-crystalline antiferromagnetic Mn₂Au

MS Gebre, RK Banner, K Kang, K Qu, H Cao, A Schleife, DP Shoemaker

Physical Review Materials 8, 084413 (2024)

Open Scholar arXiv

2023

[17] Phonon, electron, and magnon excitations in antiferromagnetic L1₀-type MnPt

K Kang, DG Cahill, A Schleife

Physical Review B 107, 064412 (2023)

Open Scholar arXiv

[16] Angstrom-scale imaging of magnetization in antiferromagnetic Fe₂As via 4D-STEM

KX Nguyen, J Huang, MH Karigerasi, K Kang, DG Cahill, JM Zuo, ...

Ultramicroscopy 247, 113696 (2023)

Open Scholar arXiv

2022

[15] Polar magneto-optical Kerr effect in antiferromagnetic M₂As (M=Cr,Mn,Fe) under an external magnetic field

K Kang, K Yang, K Puthalath, DG Cahill, A Schleife

Physical Review B 105, 184404 (2022)

Open Scholar arXiv

[14] High-resolution diffraction reveals magnetoelastic coupling and coherent phase separation in tetragonal CuMnAs

MH Karigerasi, K Kang, J Huang, VK Peterson, KC Rule, AJ Studer, ...

Physical Review Materials 6, 094405 (2022)

Open Scholar arXiv

2021

[13] In-plane magnetic structure and exchange interactions in the high-temperature antiferromagnet Cr₂Al

C Zhao, K Kang, JC Neuefeind, A Schleife, DP Shoemaker

Physical Review Materials 5, 084411 (2021)

Open Scholar arXiv

[12] Incorporating the use of a materials database into a Materials Science and Engineering freshman course

K Kang, MD Goodman, JA Krogstad, C Leal, PY Huang, A Schleife

2021 ASEE Annual Conference & Exposition, 33075 (2021)

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2020

[11] Metallic antiferromagnets

SA Siddiqui, J Sklenar, K Kang, MJ Gilbert, A Schleife, N Mason, ...

Journal of Applied Physics 128, 040904 (2020)

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[10] Magnetocrystalline anisotropy of the easy-plane metallic antiferromagnet Fe₂As

K Yang, K Kang, Z Diao, MH Karigerasi, DP Shoemaker, A Schleife, ...

Physical Review B 102, 064415 (2020)

Open Scholar arXiv

[9] Strongly two-dimensional exchange interactions in the in-plane metallic antiferromagnet Fe₂As probed by inelastic neutron scattering

MH Karigerasi, K Kang, GE Granroth, A Banerjee, A Schleife, ...

Physical Review Materials 4, 114416 (2020)

Open Scholar arXiv

2019

[8] Pushing the frontiers of modeling excited electronic states and dynamics to accelerate materials engineering and design

K Kang, A Kononov, CW Lee, JA Leveillee, EP Shapera, X Zhang, ...

Computational Materials Science 160, 207 (2019)

Open Scholar

[7] Magneto-optic response of the metallic antiferromagnet Fe₂As to ultrafast temperature excursions

K Yang, K Kang, Z Diao, A Ramanathan, MH Karigerasi, DP Shoemaker, ...

Physical Review Materials 3, 124408 (2019)

Open Scholar arXiv

[6] In-plane hexagonal antiferromagnet in the Cu-Mn-As system Cu_0.82Mn_1.18As

MH Karigerasi, K Kang, A Ramanathan, DL Gray, MD Frontzek, H Cao, ...

Physical Review Materials 3, 111402 (2019)

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2018

[5] Voltage-induced switching of an antiferromagnetically ordered topological Dirac semimetal

Y Kim, K Kang, A Schleife, MJ Gilbert

Physical Review B 97, 134415 (2018)

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2017

[4] Assembling phosphorene flexagons for 2D electron-density-guided nanopatterning and nanofabrication

K Kang†, W Jang†, A Soon

Nanoscale 9, 10465 (2017)

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2016

[3] Acute mechano-electronic responses in twisted phosphorene nanoribbons

W Jang, K Kang, A Soon

Nanoscale 8, 14778 (2016)

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[2] In search of non-conventional surface oxidic motifs of Cu on Au (111)

T Lee, Y Lee, K Kang, A Soon

Physical Chemistry Chemical Physics 18, 7349 (2016)

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2015

[1] Remarkably low-energy one-dimensional fault line defects in single-layered phosphorene

W Jang, K Kang, A Soon

Nanoscale 7, 19073 (2015)

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