Research
I am interested in condensed matter physics, first-principles methodologies, topological states of matter, and machine learning.
Most of my research is about inferring quantum materials (interaction, phase, property, application, etc) from quantum-mechanical principles, models, and simulations.
Some papers are highlighted.
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Extreme-Band-Gap Semiconductors with Shallow Dopants and Mobile Carriers
Sieun Chae, Nocona Sanders, Kelsey A. Mengle, Amanda Wang, Xiao Zhang, Jon Lafuente Bartolome, Kaifa Luo, Yen-Chun Huang, Feliciano Giustino, John T. Heron, Emmanouil Kioupakis
arXiv:2506.07284, 2025
TBD.
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Symmetry-protected topological polarons
Kaifa Luo, Jon Lafuente-Bartolome, Feliciano Giustino
submitted, 2025
Combining group-theoretic analysis and state-of-the-art first-principles calculations, we classified and proposed polarons with integer topological charges in oxides and nitrides.
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Incommensurate transverse Peierls transition and chiral charge-density wave
FZ Yang, KF Luo, Weizhe Zhang, Xiaoyu Guo, WR Meier, H Ni, HX Li, P Mercado Lozano, G Fabbris, AH Said, C Nelson, TT Zhang, AF May, MA McGuire, R Juneja, L Lindsay, HN Lee, J-M Zuo, MF Chi, X Dai, Liuyan Zhao, H Miao
arXiv:2410.10539, 2024
TBD.
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Understanding chiral charge-density wave by frozen chiral phonon
Shuai Zhang, Kaifa Luo, Tiantian Zhang
npj Computational Materials 10 (1), 264, 2024
By tracing electron-phonon interactions in a chiral charge-density wave, we sugguested symmetry-selective engineering to control chirality in low-dimensional quantum materials.
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Magnetic-field-induced electronic instability of Weyl-like fermions in compressed black phosphorus
Lixuan Zheng, Kaifa Luo, Zeliang Sun, Dan Zhao, Jian Li, Dianwu Song, Shunjiao Li, Baolei Kang, Linpeng Nie, Min Shan, Zhimian Wu, Yanbing Zhou, Xi Dai, Hongming Weng, Rui Yu, Tao Wu, Xianhui Chen
Science China Physics, Mechanics & Astronomy 66, 117011, 2023
TBD.
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Transverse Peierls transition
Kaifa Luo, Xi Dai
Physical Review X 13 (1), 011027, 2023
By condensating transverse phonons via selection rules of angular momentum, we proposed novel density-wave states in topological semimetals.
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Topological phases in pyrochlore thallium niobate Tl2Nb2O6+x
Wei Zhang, Kaifa Luo, Zhendong Chen, Ziming Zhu, Rui Yu, Chen Fang, Hongming Weng
npj Computational Materials 5 (1), 1, 2019
TBD.
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Nodal manifolds bounded by exceptional points on non-Hermitian honeycomb lattices
Kaifa Luo, Jiajin Feng, YX Zhao, Rui Yu
arXiv 1810.09231, 2018
Non-Hermiticity of Hamiltonian brings complex behaviors to spectrum and dynamics. By designing a proof-of-principle electric lattice with gain and loss, we studied spectra evolution of a non-Hermitian topological semimetal.
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Topological nodal states in circuit lattice
Kaifa Luo, Rui Yu, Hongming Weng
Research, 2018
Topological band theory can be applied to any periodically coupled harmonic oscillators. Guided by this idea, we designed topological nodal structures in a LC circuit lattice.
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