1.8k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of Colorado BoulderUS112 papers
- Colorado School of MinesUS59 papers
- King's College LondonGB30 papers
- Lawrence Berkeley National LaboratoryUS28 papers
- Fudan UniversityCN17 papers
- Radboud University NijmegenNL15 papers
- Stanford UniversityUS15 papers
- University of MinnesotaUS15 papers
- University of California, BerkeleyUS14 papers
- Colorado State UniversityUS13 papers
- North Carolina State UniversityUS12 papers
- Princeton UniversityUS12 papers
193 papers · 1 filter
Many-body description of two-dimensional van der Waals ferroelectric InSe
Denzel Ayala, Dimitar Pashov, Tong Zhou +3
Two-dimensional (2D) van der Waals ferroelectrics are recognized for enabling many applications, from memory and logic to neuromorphic computing, as well as transforming other mate…
Revealing the Hidden Third Dimension of Point Defects in Two-Dimensional MXenes
Grace Guinan, Michelle A. Smeaton, Brian C. Wyatt +6
Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-lay…
Dara: Automated multiple-hypothesis phase identification and refinement from powder X-ray diffraction
Yuxing Fei, Matthew J. McDermott, Christopher L. Rom +2
Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphas…
Advancing Quantum Many-Body GW Calculations on Exascale Supercomputing Platforms
Benran Zhang, Daniel Weinberg, Chih-En Hsu +9
Advanced ab initio materials simulations face growing challenges as increasing systems and phenomena complexity requires higher accuracy, driving up computational demands. Quantum…
Towards a deeper fundamental understanding of (Al,Sc)N ferroelectric nitrides
Peng Chen, Dawei Wang, Alejandro Mercado Tejerina +4
Density Functional Theory (DFT) calculations, within the virtual crystal alloy approximation, are performed, along with the development of a Landau-type model employing a symmetry-…
Unconventional Spintronics from Chiral Perovskites
Yuntian Liu, Reshna Shrestha, Konstantin Denisov +4
Spintronic devices typically employ heterostructures with ferromagnets which break time-reversal symmetry and have non-vanishing magnetization. With the growing class of materials…
Mic-hackathon 2024: Hackathon on Machine Learning for Electron and Scanning Probe Microscopy
Utkarsh Pratiush, Austin Houston, Kamyar Barakati +70
Microscopy is a primary source of information on materials structure and functionality at nanometer and atomic scales. The data generated is often well-structured, enriched with me…
Effective bands and band-like electron transport in amorphous solids
Matthew Jankousky, Dimitar Pashov, Ross E. Larsen +3
The localization of electrons caused by atomic disorder is a well-known phenomenon. However, what circumstances allow electrons to remain delocalized and retain band-like character…
Doping Topological Dirac Semimetal with magnetic impurities: electronic structure of Mn-doped CdAs
H. Ness, I. Leahy, A. Rice +3
The prospect of transforming a Dirac topological semimetal (TSM) into a Weyl TSM phase, following doping by magnetic impurities, is central to TSM applications. The magnetic field…
Quantitative approaches for multi-scale structural analysis with atomic resolution electron microscopy
Noah Schnitzer, Lopa Bhatt, Ismail El Baggari +4
Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as…
Mind the Gap: Bridging the Divide Between AI Aspirations and the Reality of Autonomous Characterization
Grace Guinan, Addison Salvador, Michelle A. Smeaton +7
What does materials science look like in the "Age of Artificial Intelligence?" Each materials domain-synthesis, characterization, and modeling-has a different answer to this questi…
A Map of the Zintl AM2Pn2 Compounds: Influence of Chemistry on Stability and Electronic Structure
Andrew Pike, Zhenkun Yuan, Gideon Kassa +9
The AM2Pn2 (A= Ca, Sr, Ba, Yb, Mg; M= Mn, Zn, Cd, Mg; and Pn=N, P, As, Sb, Bi) family of Zintl phases has been known as thermoelectric materials and has recently gained much attent…
Theory of Transient Heat Conduction
David E. Crawford, Yi Zeng, Judith Vidal +1
Ultrafast and nanoscale heat conduction demands a unified theoretical framework that rigorously bridges macroscopic transport equations with microscopic material properties derived…
Ion exchange synthesizes layered polymorphs of MgZrN and MgHfN, two metastable semiconductors
Christopher L. Rom, Matthew Jankousky, Maxwell Q. Phan +5
The synthesis of ternary nitrides is uniquely difficult, in large part because elemental N is relatively inert. However, lithium reacts readily with other metals and N, mak…
Revealing the Evolution of Order in Materials Microstructures Using Multi-Modal Computer Vision
Arman Ter-Petrosyan, Michael Holden, Jenna A. Bilbrey +11
The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microst…
Magnon-mediated exciton-exciton interaction in a van der Waals antiferromagnet
Biswajit Datta, Pratap Chandra Adak, Sichao Yu +17
Excitons are fundamental excitations that govern the optical properties of semiconductors. Interacting excitons can lead to various emergent phases of matter and large nonlinear op…
High-temperature observation of intralayer, interlayer, and Rydberg excitons in bulk van der Waals alloy single crystals
Pravrati Taank, Asif Ali, Aravind Raji +4
Transition metal dichalcogenides (TMDs) exhibit remarkable optical properties due to the diverse number of strongly bound excitons, which can be fine-tuned by alloying. Despite a f…
From Prediction to Experimental Realization of Ferroelectric Wurtzite AlGdN Alloys
Cheng-Wei Lee, Rebecca W. Smaha, Geoff L. Brennecka +3
AlN-based alloys find widespread application in high-power microelectronics, optoelectronics, and electromechanics. The realization of ferroelectricity in wurtzite AlN-based hetero…
From Text to Test: AI-Generated Control Software for Materials Science Instruments
Davi M Fébba, Kingsley Egbo, William A. Callahan +1
Large language models (LLMs) are transforming the landscape of chemistry and materials science. Recent examples of LLM-accelerated experimental research include virtual assistants…
GdWN is a Nitride Perovskite
Rebecca W. Smaha, John S. Mangum, Neha Yadav +8
Nitride perovskites N are an emerging and highly under-explored class of materials that are of interest due to their intriguing calculated ferroelectric, optoelectronic, an…
Toward Mass-Production of Transition Metal Dichalcogenide Solar Cells: Scalable Growth of Photovoltaic-Grade Multilayer WSe2 by Tungsten Selenization
Kathryn M. Neilson, Sarallah Hamtaei, Koosha Nassiri Nazif +11
Semiconducting transition metal dichalcogenides (TMDs) are promising for high-specific-power photovoltaics due to desirable band gaps, high absorption coefficients, and ideally dan…
Grain boundary strain localization in CdTe solar cell revealed by Scanning 3D X-ray diffraction microscopy
A. Shukla, J. Wright, A. Henningsson +8
Cadmium Telluride (CdTe) solar cell technology is a promising candidate to help boost green energy production. However, impurities and structural defects are major barriers to impr…
Bulk synthesis of ZnWN via solid-state metathesis
Christopher L. Rom, Shaun O'Donnell, Kayla Huang +4
Ternary nitrides are of growing technological importance, with applications as semiconductors, catalysts, and magnetic materials; however, new synthetic tools are needed to advance…
Tuning the spontaneous exchange bias effect in La1.5Sr0.5CoMnO6 with sintering temperature
C. Macchiutti, J. R. Jesus, F. B. Carneiro +8
Here, we present a study of the influence of microstructure on the magnetic properties of polycrystalline samples of the La1.5Sr0.5CoMnO6 double perovskite, with primary attention…