538 citations · 851 across the 22 of their papers we have counts for
22 papers
Spin scattering and Hall effects in monolayer Fe3GeTe2
Luyan Yu, Jie-Xiang Yu, Jiadong Zang +3
We theoretically show that the carrier transport in monolayer Fe3GeTe2 experiences a transition between anomalous Hall effect and spin Hall effect when the spin polarization of dis…
Disordered Hyperuniform Solid State Materials
Duyu Chen, Houlong Zhuang, Mohan Chen +3
Disordered hyperuniform (DHU) states are recently discovered exotic states of condensed matter. DHU systems are similar to liquids or glasses in that they are statistically isotrop…
Disordered Hyperuniform Quasi-1D Materials
Duyu Chen, Yu Liu, Yu Zheng +3
Carbon nanotubes are quasi-one-dimensional systems that possess superior transport, mechanical, optical, and chemical properties. In this work, we generalize the notion of disorder…
Multihyperuniform Long-Range Order in Medium-Entropy Alloys
Duyu Chen, Xinyu Jiang, Duo Wang +2
We provide strong numerical evidence for a hidden multihyperuniform long-range order (MHLRO) in SiGeSn medium-entropy alloys (MEAs), in which the normalized infinite-wavelength com…
Sudoku-Inspired High-Shannon-Entropy Alloys
Houlong Zhuang
Current definition of high-entropy alloys (HEAs) is commonly based on the configurational entropy. But this definition depends only on the chemical composition of a HEA and therefo…
Nearly hyperuniform, nonhyperuniform, and antihyperuniform density fluctuations in two-dimensional transition metal dichalcogenides with defects
Duyu Chen, Yu Zheng, Chia-Hao Lee +5
Hyperuniform many-body systems in -dimensional Euclidean space are characterized by completely suppressed (normalized) infinite-wavelength density fluctuations, and appear to be…
Topological Transformations in Hyperuniform Pentagonal 2D Materials Induced by Stone-Wales Defects
Yu Zheng, Duyu Chen, Lei liu +2
We discover two distinct topological pathways through which the pentagonal Cairo tiling (P5), a structural model for single-layer pyrite materials, respectively transforms i…
High-throughput computational characterization of two-dimensional compositionally complex transition-metal chalcogenide alloys
Duo Wang, Lei Liu, Neha Basu +1
Two-dimensional (2D) binary transition-metal chalcogenides (TMCs) like molybdenum disulfide exhibits excellent properties as materials for light adsorption devices. Alloying binary…
Electrical and thermal transport properties of medium-entropy SiyGeySnx alloys
Duo Wang, Lei Liu, Mohan Chen +1
Electrical and thermal transport properties of disordered materials have long been of both theoretical interest and engineering importance. As a new class of materials with an intr…
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…
Spin qubit based on the nitrogen-vacancy center analog in a diamond-like compound C3BN
Duo Wang, Lei Liu, Houlong L. Zhuang
The Nitrogen-vacancy (NV) center in diamond plays important roles in emerging quantum technologies. Currently available methods to fabricate the NV center often involve complex pro…
Stone-Wales Defects Preserve Hyperuniformity in Amorphous Two-Dimensional Materials
Duyu Chen, Yu Zheng, Lei Liu +4
Crystalline two-dimensional (2D) materials such as graphene possess unique physical properties absent in their bulk form, enabling many novel device applications. Yet, little is kn…
Probing the interactions between interstitial hydrogen atoms in niobium through density functional theory calculations
Arvind Ramachandran, Houlong Zhuang, Klaus S. Lackner
Past experiments about hydrogen absorption in niobium have revealed specific properties about interactions between interstitial hydrogen atoms. It has been reported that there are…
Semiconducting SiGeSn High-Entropy Alloy: A Density Functional Theory Study
D. Wang, L. Liu, W. Huang +1
High-entropy alloys (HEAs), which have been intensely studied due to their excellent mechanical properties, generally refer to alloys with multiple equimolar or nearly equimolar el…
Enhanced Electronic Transport in Disordered Hyperuniform Two-Dimensional Amorphous Silica
Yu Zheng, Lei Liu, Hanqing Nan +8
Disordered hyperuniformity (DHU) is a recently proposed new state of matter, which has been observed in a variety of classical and quantum many-body systems. DHU systems are charac…
Towards Obtaining 2D and 3D and 1D PtPN with Pentagonal Pattern
Duo Wang, Lei Liu, Houlong L. Zhuang
We apply an alloying strategy to single-layer PtN and PtP, aiming to obtain a single-layer Pt-P-N alloy with a relatively low formation energy with reference to its bulk st…
Dimension Engineering of Single-Layer PtN with the Cairo Tessellation
Lei Liu, Duo Wang, Sreeharsha Lakamsani +3
Single-layer PtN exhibits an intriguing structure consisting of a tessellation pattern called the Cairo tessellation of type 2 pentagons, which belong to one of the existing 15…
Single-Layer Ferromagnetic and Piezoelectric CoAsS with Pentagonal Structure
Lei Liu, Houlong L. Zhuang
Single-layer pentagonal materials are an emerging family of two-dimensional (2D) materials that could exhibit novel properties due to the building blocks being pentagons instead of…
Single-layer antiferromagnetic semiconductor CoS2 with the pentagonal structure
Lei Liu, Immanuella Kankam, Houlong L. Zhuang
Structure-property relationships have always been guiding principles in discovering new materials. Here we explore the relationships to discover novel two-dimensional (2D) material…
PtP: An Example of Exploring the Hidden Cairo Tessellation in the Pyrite Structure for Discovering Novel Two-Dimensional Materials
Lei Liu, Houlong L. Zhuang
The Cairo tessellation refers to a pattern of type 2 pentagons that can pave an infinite plane without creating a gap or overlap. We reveal the hidden, layered Cairo tessellations…
Encoding Quantum Mechanics into Pentagonal Geometries for Discovering Novel Two-Dimensional Materials
Lei Liu, Immanuella Kankam, Houlong L. Zhuang
Imagine that there is a gapless plane tessellated by irregular, convex pentagons with their side lengths at the sub-nanoscale, and tiny balls are placed at the vertices of each pen…
Anomalous dielectric response at intermixed oxide heterointerfaces
Valentino R. Cooper, Houlong L. Zhuang, Lipeng Zhang +3
Two-dimensional charge carrier accumulation at oxide heterointerfaces presents a paradigm shift for oxide electronics. Like a capacitor, interfacial charge buildup couples to an el…