14.2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Fermi National Accelerator LaboratoryUS2.3k papers
- University of RochesterUS2.2k papers
- Centre National de la Recherche ScientifiqueFR2.1k papers
- California Institute of TechnologyUS2k papers
- University of FloridaUS2k papers
- Massachusetts Institute of TechnologyUS1.9k papers
- Purdue University West LafayetteUS1.8k papers
- University of Maryland, College ParkUS1.8k papers
- Institut National de Physique Nucléaire et de Physique des ParticulesFR1.8k papers
- Tata Institute of Fundamental ResearchIN1.7k papers
- University of California, DavisUS1.7k papers
- Joint Institute for Nuclear ResearchRU1.7k papers
38 papers · 2 filters
Enhanced Conductivity Along Lateral Homojunction Interfaces of Atomically Thin Semiconductors
Ying Jia, Teodor K. Stanev, Erik J. Lenferink +1
Energy band realignment at the interfaces between materials in heterostructures can give rise to unique electronic characteristics and non-trivial low-dimensional charge states. In…
Enhanced Structural Stability and Photo Responsiveness of CH3NH3SnI3 Perovskite via Pressure-Induced Amorphization and Recrystallization
Xujie Lü, Yonggang Wang, Constantinos C. Stoumpos +10
An organic-inorganic halide perovskite of CH3NH3SnI3 with significantly improved structural stability is obtained via pressure-induced amorphization and recrystallization. In situ…
Mutual Photoluminescence Quenching and Photovoltaic Effect in Large-Area Single-Layer MoS2-Polymer Heterojunctions
Tejas A. Shastry, Itamar Balla, Hadallia Bergeron +3
Two-dimensional transition metal dichalcogenides (TMDCs) have recently attracted attention due to their superlative optical and electronic properties. In particular, their extraord…
Vacancy Relaxation in Cuprous Oxide (CuO)
Laszlo Frazer, Kelvin B. Chang, Richard D. Schaller +2
Phonons are produced when an excited vacancy in cuprous oxide (CuO) relaxes. Time resolved luminescence was used to find the excited copper vacancy (acceptor) and oxygen vacanc…
Magneto-electric coupling in type-I multiferroic ScFeO
Gianluca Giovannetti, Danilo Puggioni, Paolo Barone +3
We investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO by means of ab-initio calculations. The manifold of…
Phase-field crystal model for ordered crystals
Eli Alster, K. R. Elder, Jeffrey J. Hoyt +1
We describe a general method to model multicomponent ordered crystals using the phase-field crystal (PFC) formalism. As a test case, a generic B2 compound is investigated. We are a…
Benchmark Problems for Numerical Implementations of Phase Field Models
A. M. Jokisaari, P. W. Voorhees, J. E. Guyer +2
We present the first set of benchmark problems for phase field models that are being developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute o…
Influences of Granular Constraints and Surface Effects on the Heterogeneity of Elastic, Superelastic, and Plastic Responses of Polycrystalline Shape Memory Alloys
Harshad M. Paranjape, Partha P. Paul, Hemant Sharma +5
Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. I…
Computational Investigation of Half-Heusler Compounds for Spintronics Applications
Jianhua Ma, Vinay I. Hegde, Kamaram Munira +6
We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 half-Heusler compounds (with …
Prediction of superconducting iron-bismuth intermetallic compounds at high pressure
Maximilian Amsler, S. Shahab Naghavi, Chris Wolverton
The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures…
Spin Transport through the metallic antiferromagnet FeMn
H. Saglam, W. Zhang, M. B. Jungfleisch +4
We investigate spin transport through metallic antiferromagnets using measurements based on spin pumping combined with inverse spin Hall effects in Ni80Fe20/FeMn/W trilayers. The r…
Isogeometric implementation of high order microplane model for the simulation of high order elasticity, softening, and localization
Erol Lale, Xinwei Zhou, Gianluca Cusatis
In this paper, a recently developed Higher Order Microplane (HOM) model for softening and localization, is implemented within a isogeometric finite element framework. The HOM model…
A multiscale framework for the simulation of the anisotropic mechanical behavior of shale
Weixin Li, Roozbeh Rezakhani, Congrui Jin +2
Shale, like many other sedimentary rocks, is typically heterogeneous, anisotropic, and is characterized by partial alignment of anisotropic clay minerals and naturally formed beddi…
Elastic Microplane Formulation for Transversely Isotropic Materials
Congrui Jin, Marco Salviato, Weixin Li +1
This contribution investigates the extension of the microplane formulation to the description of transversely isotropic materials such as shale rock, foams, unidirectional composit…
Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles
Nenian Charles, James M. Rondinelli
Motivated by the resurgence of electronic and optical property design in ordered fluoride and oxyfluoride compounds, we present a density functional theory (DFT) study on 19 materi…
Mixed-Dimensional van der Waals Heterostructures
Deep Jariwala, Tobin J. Marks, Mark C. Hersam
The isolation of a growing number of two-dimensional (2D) materials has inspired worldwide efforts to integrate distinct 2D materials into van der Waals (vdW) heterostructures. Giv…
Lithium transport through Lithium-ion battery cathode coatings
Shenzhen Xu, Ryan M. Jacobs, Ha M. Nguyen +4
The surface coating of cathodes using insulator films has proven to be a promising method for high-voltage cathode stabilization in Li-ion batteries. However, there is still substa…
Shear piezoelectricity in poly(vinylidenefluoride-co-trifluoroethylene): full piezotensor coefficients by molecular modeling, biaxial transverse response, and use in suspended energy-harvesting nanostructures
Luana Persano, Alessandra Catellani, Canan Dagdeviren +5
The intrinsic flexible character of polymeric materials also causes remarkable strain deformations along directions perpendicular to the applied stress. Here the biaxial response i…
Direct Testing of Gradual PostPeak Softening of Notched Specimens of Fiber Composites Stabilized by Enhanced Stiffness and Mass
Zdenek P. Bazant, Viet T. Chau, Gianluca Cusatis +1
Static and dynamic analysis of the fracture tests of fiber composites in hydraulically servo-controlled testing machines currently in use shows that their grips are much too soft a…
Phase Stability of TiO Polymorphs from Diffusion Quantum Monte Carlo
Ye Luo, Anouar Benali, Luke Shulenburger +3
Titanium dioxide, TiO, has multiple applications in catalysis, energy conversion and memristive devices because of its electronic structure. Most of these applications utilize…
Interface-Induced Phenomena in Magnetism
Frances Hellman, Axel Hoffmann, Yaroslav Tserkovnyak +24
This article reviews static and dynamic interfacial effects in magnetism, focusing on interfacially-driven magnetic effects and phenomena associated with spin-orbit coupling and in…
A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials
Logan Ward, Ankit Agrawal, Alok Choudhary +1
A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior example…
La1-xBi1+xS3 (x~0.08): An n-Type Semiconductor
Fei Han, Huimei Liu, Christos D. Malliakas +4
The new bismuth chalcogenide La0.92Bi1.08S3 crystallizes in the monoclinic space group C2/m with a = 28.0447(19) Å, b = 4.0722(2) Å, c = 14.7350(9) Å, and = 118.493(5)°. The st…
(CaO)(FeSe): A Layered Wide Gap Oxychalcogenide Semiconductor
Fei Han, Di Wang, Christos D. Malliakas +4
A new iron-oxychalcogenide (CaO)(FeSe) was obtained which crystallizes in the orthorhombic space group Pnma (No. 62) with a = 5.9180(12) Å, b = 3.8802(8) Å, c = 13.193(3) Å. The un…