538 citations · 1.7k across the 16 of their papers we have counts for
12 papers · 1 filter
Generalized Wilson Loop Method for Nonlinear Light-Matter Interaction
Hua Wang, Xiuyu Tang, Haowei Xu +2
Nonlinear light-matter interaction, as the core of ultrafast optics, bulk photovoltaics, nonlinear optical sensing and imaging, and efficient generation of entangled photons, has b…
The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design
Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid +25
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional the…
Giant nonlinear photocurrent in -symmetric magnetic topological quantum materials
Hua Wang, Xiaofeng Qian
Nonlinear photocurrent in time-reversal invariant noncentrosymmetric systems have attracted substantial interest. Here we propose two new types of second-order nonlinear direct pho…
Berry curvature memory through electrically driven stacking transitions
Jun Xiao, Ying Wang, Hua Wang +9
In two-dimensional layered quantum materials, the stacking order of the layers determines both the crystalline symmetry and electronic properties such as the Berry curvature, topol…
Electrically-Tunable High Curie Temperature Two-Dimensional Ferromagnetism in Van der Waals Layered Crystals
Hua Wang, Jingshan Qi, Xiaofeng Qian
Identifying intrinsic low-dimensional ferromagnets with high transition temperature and electrically tunable magnetism is crucial for the development of miniaturized spintronics an…
Two-Dimensional Multiferroic Semiconductors with Coexisting Ferroelectricity and Ferromagnetism
Jingshan Qi, Hua Wang, Xiaofang Chen +1
Low-dimensional multiferroicity, though highly scarce in nature, has attracted great attention due to both fundamental and technological interests. Using first-principles density f…
Two-Dimensional Multiferroics: Ferroelasticity, Ferroelectricity, Domain Wall, and Potential Mechano-Opto-Electronic Applications
Hua Wang, Xiaofeng Qian
Low-dimensional multiferroic materials hold great promises in miniaturized device applications such as nanoscale transducers, actuators, sensors, photovoltaics, and nonvolatile mem…
Van der Waals Stacking Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides
Junwei Liu, Hua Wang, Chen Fang +2
Novel materials with nontrivial electronic and photonic band topology are crucial for realizing novel devices with low power consumption and heat dissipation, and quantum computing…
Crystal Field Effect Induced Topological Crystalline Insulators In Monolayer IV-VI Semiconductors
Junwei Liu, Xiaofeng Qian, Liang Fu
Two-dimensional (2D) topological crystalline insulators (TCIs) were recently predicted in thin films of the SnTe class of IV-VI semiconductors, which can host metallic edge states…
First-principles investigation of organic photovoltaic materials C, C, [C]PCBM, and bis-[C]PCBM using a many-body -Lanczos approach
Xiaofeng Qian, Paolo Umari, Nicola Marzari
We present a first-principles investigation of the excited-state properties of electron acceptors in organic photovoltaics including C, C, [6,6]-phenyl-C-butyr…
Envelope function method for electrons in slowly-varying inhomogeneously deformed crystals
Wenbin Li, Xiaofeng Qian, Ju Li
We develop a new envelope-function formalism to describe electrons in slowly-varying inhomogeneously strained semiconductor crystals. A coordinate transformation is used to map a d…
Topological Crystalline Insulator Nanomembrane with Strain-Tunable Band Gap
Xiaofeng Qian, Liang Fu, Ju Li
The ability to fine-tune band gap and band inversion in topological materials is highly desirable for the development of novel functional devices. Here we propose that the electron…