199 citations · 1.5k across the 23 of their papers we have counts for
23 papers
Layer-dependent magnetism and spin fluctuations in atomically thin van der Waals magnet CrPS4
Mengqi Huang, Jazmine C. Green, Jingcheng Zhou +8
van der Waals (vdW) magnets, an emerging family of two-dimensional (2D) materials, have received tremendous attention due to their rich fundamental physics and significant potentia…
Revealing intrinsic domains and fluctuations of moiré magnetism by a wide-field quantum microscope
Mengqi Huang, Zeliang Sun, Gerald Yan +14
Moiré magnetism featured by stacking engineered atomic registry and lattice interactions has recently emerged as an appealing quantum state of matter at the forefront condensed mat…
Nanoscale magnetic domains in polycrystalline Mn3Sn films imaged by a scanning single-spin magnetometer
Senlei Li, Mengqi Huang, Hanyi Lu +7
Noncollinear antiferromagnets with novel magnetic orders, vanishingly small net magnetization and exotic spin related properties hold enormous promise for developing next-generatio…
Combining Electron-Phonon and Dynamical Mean-Field Theory Calculations of Correlated Materials: Transport in the Correlated Metal SrRuO
David J. Abramovitch, Jin-Jian Zhou, Jernej Mravlje +2
Electron-electron (-) and electron-phonon (-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport…
Dominant two-dimensional electron-phonon interactions in the bulk Dirac semimetal Na3Bi
Dhruv C. Desai, Jinsoo Park, Jin-Jian Zhou +1
Bulk Dirac semimetals (DSMs) exhibit unconventional transport properties and phase transitions due to their peculiar low-energy band structure. Yet the electronic interactions gove…
Wide Field Imaging of van der Waals Ferromagnet Fe3GeTe2 by Spin Defects in Hexagonal Boron Nitride
Mengqi Huang, Jingcheng Zhou, Di Chen +8
Emergent color centers with accessible spins hosted by van der Waals materials have attracted substantial interest in recent years due to their significant potential for implementi…
Magnetotransport in semiconductors and two-dimensional materials from first principles
Dhruv C. Desai, Bahdan Zviazhynski, Jin-Jian Zhou +1
We demonstrate a first-principles method to study magnetotransport in materials by solving the Boltzmann transport equation (BTE) in the presence of an external magnetic field. Our…
Facile ab initio approach for self-localized polarons from canonical transformations
Nien-En Lee, Hsiao-Yi Chen, Jin-Jian Zhou +1
Electronic states in a crystal can localize due to strong electron-phonon (e-ph) interactions, forming so-called small polarons. Methods to predict the formation and energetics of…
Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN
Vatsal A. Jhalani, Jin-Jian Zhou, Jinsoo Park +2
First-principles calculations of -ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) -p…
Ab initio electron-defect interactions using Wannier functions
I-Te Lu, Jinsoo Park, Jin-Jian Zhou +1
Computing electron-defect (e-d) interactions from first principles has remained impractical due to computational cost. Here we develop an interpolation scheme based on maximally lo…
Elliott-Yafet Spin-Phonon Relaxation Times from First Principles
Jinsoo Park, Jin-Jian Zhou, Marco Bernardi
We present a first-principles approach for computing the phonon-limited spin relaxation time due to the Elliot-Yafet mechanism. Our scheme combines fully-relativistic spin-fl…
Predicting charge transport in the presence of polarons: The beyond-quasiparticle regime in SrTiO
Jin-Jian Zhou, Marco Bernardi
In materials with strong electron-phonon (-ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Predicting charge…
Next-to-Leading Order Ab Initio Electron-Phonon Scattering
Nien-En Lee, Jin-Jian Zhou, Hsiao-Yi Chen +1
Electron-phonon (e-ph) interactions are usually treated in the lowest order of perturbation theory. Here we derive next-to-leading order e-ph interactions, and compute from first p…
Efficient Ab Initio Calculations of Electron-Defect Scattering and Defect-Limited Carrier Mobility
I-Te Lu, Jin-Jian Zhou, Marco Bernardi
Electron-defect (-d) interactions govern charge carrier dynamics at low temperature, where they limit the carrier mobility and give rise to phenomena of broad relevance in conde…
Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO Perovskite from First Principles
Jin-Jian Zhou, Olle Hellman, Marco Bernardi
Structural phase transitions and soft phonon modes pose a longstanding challenge to computing electron-phonon (e-ph) interactions in strongly anharmonic crystals. Here we develop a…
Charge Transport in Organic Molecular Semiconductors from First Principles: The Band-Like Hole Mobility in Naphthalene Crystal
Nien-En Lee, Jin-Jian Zhou, Luis A. Agapito +1
Predicting charge transport in organic molecular crystals is notoriously challenging. Carrier mobility calculations in organic semiconductors are dominated by quantum chemistry met…
Ultrafast Hot Carrier Dynamics in GaN and its Impact on the Efficiency Droop
Vatsal A. Jhalani, Jin-Jian Zhou, Marco Bernardi
GaN is a key material for lighting technology. Yet, the carrier transport and ultrafast dynamics that are central in GaN light emitting devices are not completely understood. We pr…
Ab initio Electron Mobility and Polar Phonon Scattering in GaAs
Jin-Jian Zhou, Marco Bernardi
In polar semiconductors and oxides, the long-range nature of the electron-phonon (\textit{e}-ph) interaction is a bottleneck to compute charge transport from first principles. Here…
Weak Topological Insulators and Composite Weyl Semimetals: -BiX (X=Br, I)
Cheng-Cheng Liu, Jin-Jian Zhou, Yugui Yao +1
While strong topological insulators (STI) have been experimentally realized soon after their theoretical predictions, a weak topological insulator (WTI) has yet to be unambiguously…
Valley-polarized quantum anomalous Hall phases and tunable topological phase transitions in half-hydrogenated Bi honeycomb monolayers
Cheng-Cheng Liu, Jin-Jian Zhou, Yugui Yao
Based on first-principles calculations, we find novel valley-polarized quantum anomalous Hall (VP-QAH) phases with a large gap-0.19 eV at an appropriate buckled angle and tunable t…
Topological edge states in single- and multi-layer BiBr
Jin-Jian Zhou, Wanxiang Feng, Gui-Bin Liu +1
Topological edge states at the boundary of quantum spin Hall (QSH) insulators hold great promise for dissipationless electron transport. The device application of topological edge…
Large-Gap Quantum Spin Hall Insulator in single layer bismuth monobromide BiBr
Jin-Jian Zhou, Wanxiang Feng, Cheng-Cheng Liu +2
Quantum spin Hall (QSH) insulators have gapless topological edge states inside the bulk band gap, which can serve as dissipationless spin current channels protected by the time-rev…
Engineering Topological Surface States and Giant Rashba Spin Splitting in BiTeI/BiTe Heterostructures
Jin-Jian Zhou, Wanxiang Feng, Ying Zhang +2
The search for strongly inversion asymmetric topological insulators is an active research field because these materials possess distinct properties compared with the inversion symm…