Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of CopenhagenDK795 papers
- Centre National de la Recherche ScientifiqueFR718 papers
- California Institute of TechnologyUS586 papers
- Jet Propulsion LaboratoryUS460 papers
- National Institute for AstrophysicsIT457 papers
- Goddard Space Flight CenterUS448 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR439 papers
- University of GenevaCH435 papers
- University College LondonGB394 papers
- University of California, BerkeleyUS379 papers
- CEA Paris-SaclayFR373 papers
- University of CambridgeGB372 papers
318 papers · 1 filter
Lithography-free patterning of SrTiO-based two-dimensional electron gases using direct atomic layer processing
Anshu Gupta, Karolis Parfeniukas, Amit Chanda +5
We present a scalable and lithography-free strategy for the realization of a two-dimensional electron gas (2DEG) in TiO-patterned SrTiO (100) via Al deposition using magnet…
Thickness-dependent crack suppression and wrinkle formation in freestanding BaTiO3 membranes
Rajesh Mandal, Ajay Kumar, Nini Pryds
Freestanding ferroelectric oxide membranes offer a promising route toward silicon-integrated low-power electronic and memory devices, but reproducible membrane quality remains chal…
Large-scale Integration of Experimental and Computational Data for 2D Materials
Mohammad A. Akhound, Tara M. Boland, Mikkel O. Sauer +19
The past decade has seen rapid growth in the number of experimentally realized two-dimensional (2D) materials with diverse chemical and physical properties. However, information on…
Size Dependent Ternary Halide Solid Solutions in Perovskite Nanocrystals
Shai Levy, Lotte Kortstee, Georgy Dosovitskiy +5
Crystalline solid solutions incorporate guest atoms by substituting host lattice sites up to a solubility limit dictated by solute host similarity. Solid solutions enable tuning va…
Thermal and Size Effects in Ferroelastic Domains by Machine Learning
Luka Geddis Zellmann, Sumner B. Harris, John R. R. Scott +4
Ferroelastic domain walls (DWs) underpin key functionalities in complex oxides. In free-standing ferroic thin films, where elastic interactions are highly thickness dependent, unde…
Critical temperatures of two dimensional magnets beyond linear spin wave theory: application to CrI, MPS (M=Ni, Mn, Fe) and CrSBr
Varun Rajeev Pavizhakumari, Thomas Olsen
Magnetic anisotropy is crucial for sustaining long range magnetic order in two-dimensional materials (2D) and must be taken into account by any approximate scheme for calculating c…
Intrinsic Berry Curvature Driven Anomalous Hall and Nernst Effect in CoMnSn
Bishal Das, Arnab Bhattacharya, Amit Chanda +5
Magnetic topological semimetals often exhibit unusual electronic and thermal transport due to nontrivial bulk band crossings, enabling simultaneous realization of large anomalous H…
Magnetism and nonlinear charge transport in NiFe2O4/γ-Al2O3/SrTiO3 heterostructure: Toward Spintronic Applications
Amit Chanda, Thor Hvid-Olsen, Christina Hoegfeldt +9
We present the synthesis and study of the magnetic and electronic properties of NiFe2O4/γ-Al2O3/SrTiO3 heterostructure. The γ-Al2O3/SrTiO3 interface hosts a high-mobility two-dimen…
Defect-Assisted Recombination in Semiconductors and Photovoltaic Device Parameters from First Principles
Jiban Kangsabanik, Kristian S. Thygesen
We introduce a method to calculate defect-assisted Shockley-Read-Hall (SRH) recombination rates in imperfect semiconductors from first principles. The method accounts for the stead…
Modifying electronic and structural properties of 2D van der Waals materials via cavity quantum vacuum fluctuations: A first-principles QEDFT study
Hang Liu, Simone Latini, I-Te Lu +2
Structuring the photon density of states and light-matter coupling in optical cavities has emerged as a promising approach to modifying the equilibrium properties of materials thro…
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…
Defect complexes in CrSBr revealed through electron microscopy and deep learning
Mads Weile, Sergii Grytsiuk, Aubrey Penn +9
Atomic defects underpin the properties of van der Waals materials, and their understanding is essential for advancing quantum and energy technologies. Scanning transmission electro…
Predicting aqueous and electrochemical stability of 2D materials from extended Pourbaix analyses
Stefano Americo, Ivano E. Castelli, Kristian S. Thygesen
A key challenge for computational discovery of electrocatalytic materials is the reliable prediction of thermodynamic stability in aqueous environment and under different electroch…
Giant orbital magnetization in two-dimensional materials
Martin Ovesen, Thomas Olsen
Orbital magnetization typically plays a minor role in compounds where the magnetic properties are governed by transition metal elements. However, in some cases, the orbital magneti…
Cavity-Mediated Electron-Electron Interactions: Renormalizing Dirac States in Graphene
Hang Liu, Francesco Troisi, Hannes Hübener +2
Embedding materials in optical cavities has emerged as a strategy for tuning material properties. Accurate simulations of electrons in materials interacting with quantum photon flu…
Systematic investigation of the generation of luminescent emitters in hBN via irradiation engineering
Pooja C. Sindhuraj, José M. Caridad, Corné Koks +9
Hexagonal boron nitride (hBN), a two-dimensional (2D) material, garners interest for hosting bright quantum emitters at room temperature. A great variety of fabrication processes h…
Tunable and Persistent Macroscopic Polarization in Nominally Centrosymmetric Defective Oxides
D. -S. Park, N. Pryds, N. Gauquelin +8
Introducing symmetry breaking in materials enables the emergence of functionalities. This can be microscopically and macroscopically driven by applying external stimuli such as mec…
Leveraging high fluence and low pressure for pulsed laser deposition of high-mobility -AlO/SrTiO heterostructure growth
Thor Hvid-Olsen, Christina Hoegfeldt, Amit Chanda +4
High-mobility oxide heterostructures could be applied for high-frequency devices, transparent conductors, and spin-orbit logic devices. SrTiO is one of the most studied oxide s…
Predicting the Néel temperatures in general helimagnetic materials: a comparison between mean field theory, random phase approximation, renormalized spin wave theory and classical Monte Carlo simulations
Varun Rajeev Pavizhakumari, Thomas Olsen
The critical temperature for magnetic order comprises a crucial property of any magnetic material and ranges from a few Kelvin in certain antiferromagnets to 1400 K in ferromagneti…
Roadmap for Photonics with 2D Materials
F. Javier García de Abajo, D. N. Basov, Frank H. L. Koppens +145
Triggered by the development of exfoliation and the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or few atomic layer…
Towards Interfacing Dark-Field X-ray Microscopy to Dislocation Dynamics Modeling
Axel Henningsson, Sina Borgi, Grethe Winther +2
Deformation gradient tensor fields are reconstructed in three dimensions (mapping all 9 tensor components) using synthetic Dark-Field X-ray Microscopy data. Owing to the unique pro…
Fundamental Factors Governing Stabilization of Janus 2D-Bulk Heterostructures with Machine Learning
Tara M. Boland, Rachel Gorelik, Arunima K. Singh
The more-than-6000 2D materials predicted thus far provide a huge combinatorial space for forming functional heterostructures with bulk materials, with potential applications in na…
Ehrenfest dynamics with localized atomic-orbital basis sets within the projector augmented-wave method
Vladimír Zobač, Mikael Kuisma, Ask Hjorth Larsen +2
Density functional theory with linear combination of atomic orbitals (LCAO) basis sets is useful for studying large atomic systems, especially when it comes to computationally high…
Magnetoelectric behavior of breathing kagomé monolayers of from first-principles calculations
John Mangeri, Varun R. Pavizhakumari, Thomas Olsen
We apply density functional theory to explore the magnetoelectric (ME) properties of two-dimensional . These compounds have recently been propose…