284 citations · 615 across the 18 of their papers we have counts for
20 papers
Fractional-Quantum Ferroelectrics: A Route to High-Mobility Ferroelectric Semiconductors
Rong-Tian Pang, Wenjie Hu, Youning Liu +1
Ferroelectric semiconductors are promising for multifunctional electronics, yet their typically low carrier mobilities remain a major limitation. Using first-principles phonon-limi…
Magnetotransport in Topological Materials and Nonlinear Hall Effect via First-Principles Electronic Interactions and Band Topology
Dhruv C. Desai, Lauren A. Tan, Jin-Jian Zhou +3
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 effe…
Phonons Drive the Topological Phase Transition in Quasi-One-Dimensional BiI
Wenjie Hu, Jiayi Gong, Yuhui Qiu +3
Quasi-one-dimensional bismuth halides offer an exceptional platform for exploring diverse topological phases, yet the nature of the room-temperature topological phase transition in…
Magnon-phonon interactions from first principles
Khoa B. Le, Ali Esquembre-Kucukalic, Hsiao-Yi Chen +6
Modeling spin-wave (magnon) dynamics in novel materials is important to advance spintronics and spin-based quantum technologies. The interactions between magnons and lattice vibrat…
Respective Roles of Electron-Phonon and Electron-Electron Interactions in the Transport and Quasiparticle Properties of SrVO
David J. Abramovitch, Jernej Mravlje, Jin-Jian Zhou +2
The spectral and transport properties of strongly correlated metals, such as SrVO (SVO), are widely attributed to electron-electron (-) interactions, with lattice vibrati…
First-principles electron-phonon interactions and electronic transport in large-angle twisted bilayer graphene
Shiyuan Gao, Jin-Jian Zhou, Yao Luo +1
Twisted bilayer graphene (tBLG) has emerged as an exciting platform for novel condensed matter physics. However, electron-phonon (-ph) interactions in tBLG and their effects on…
First-Principles Electron-Phonon Interactions and Polarons in the Parent Cuprate LaCuO
Benjamin K. Chang, Iurii Timrov, Jinsoo Park +3
Understanding electronic interactions in high-temperature superconductors is an outstanding challenge. In the widely studied cuprate materials, experimental evidence points to stro…
Hard X-ray Generation and Detection of Nanometer-Scale Localized Coherent Acoustic Wave Packets in SrTiO and KTaO
Yijing Huang, Peihao Sun, Samuel W. Teitelbaum +21
We demonstrate that the absorption of femtosecond x-ray pulses can excite quasi-spherical high-wavevector coherent acoustic phonon wavepackets using an all x-ray pump and probe sca…
Excitonic Instability in Ta2Pd3Te5 Monolayer
Jingyu Yao, Haohao Sheng, Ruihan Zhang +7
By systematic theoretical calculations, we have revealed an excitonic insulator (EI) in the Ta2Pd3Te5 monolayer. The bulk Ta2Pd3Te5 is a van der Waals (vdW) layered compound, where…
Topological electronic structure and spin texture of quasi-one-dimensional higher-order topological insulator Bi4Br4
W. X. Zhao, M. Yang, R. Z. Xu +17
The notion of topological insulators (TIs), characterized by an insulating bulk and conducting topological surface states, can be extended to higher-order topological insulators (H…
Optical bulk-boundary dichotomy in a quantum spin Hall insulator
Junfeng Han, Pengcheng Mao, Hailong Chen +17
The bulk-boundary correspondence is a key concept in topological quantum materials. For instance, a quantum spin Hall insulator features a bulk insulating gap with gapless helical…
Ab initio Real-Time Quantum Dynamics of Charge Carriers in Momentum Space
Zhenfa Zheng, Yongliang Shi, Jin-jian Zhou +3
Application of the nonadiabatic molecular dynamics (NAMD) approach is severely limited to studying carrier dynamics in the momentum space, since a supercell is required to sample t…
Many-body theory of phonon-induced spin relaxation and decoherence
Jinsoo Park, Yao Luo, Jin-Jian Zhou +1
First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit…
Predicting Phonon-Induced Spin Decoherence from First Principles: Colossal Spin Renormalization in Condensed Matter
Jinsoo Park, Jin-Jian Zhou, Yao Luo +1
Developing a microscopic understanding of spin decoherence is essential to advancing quantum technologies. Electron spin decoherence due to atomic vibrations (phonons) plays a spec…
First-principles ionized-impurity scattering and charge transport in doped materials
I-Te Lu, Jin-Jian Zhou, Jinsoo Park +1
Scattering of carriers with ionized impurities governs charge transport in doped semiconductors. However, electron interactions with ionized impurities cannot be fully described wi…
Intermediate Polaronic Charge Transport in Organic Crystals from a Many-Body First-Principles Approach
Benjamin K. Chang, Jin-Jian Zhou, Nien-En Lee +1
Predicting the electrical properties of organic molecular crystals (OMCs) is challenging due to their complex crystal structures and electron-phonon (e-ph) interactions. Charge tra…
Ab initio electron-phonon interactions in correlated electron systems
Jin-Jian Zhou, Jinsoo Park, Iurii Timrov +4
Electron-phonon (-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons and metal-insulato…
Long-range quadrupole electron-phonon interaction from first principles
Jinsoo Park, Jin-Jian Zhou, Vatsal A. Jhalani +2
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. Th…
Perturbo: a software package for ab initio electron-phonon interactions, charge transport and ultrafast dynamics
Jin-Jian Zhou, Jinsoo Park, I-Te Lu +3
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 int…
First-principles calculation of topological invariants Z2 within the FP-LAPW formalism
Wanxiang Feng, Jun Wen, Jinjian Zhou +2
In this paper, we report the implementation of first-principles calculations of topological invariants Z2 within the full-potential linearized augmented plane-wave (FP-LAPW) formal…