430 citations · 1.2k across the 64 of their papers we have counts for
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Density Functional Theory and Deep-learning to Accelerate Data Analytics in Scanning Tunneling Microscopy
Kamal Choudhary, Kevin F. Garrity, Charles Camp +4
We introduce the first systematic database of scanning tunneling microscope (STM) images obtained using density functional theory (DFT) for two-dimensional (2D) materials, calculat…
Imaging Mechanism for Hyperspectral Scanning Probe Microscopy via Gaussian Process Modelling
Maxim Ziatdinov, Dohyung Kim, Sabine Neumayer +5
We investigate the ability to reconstruct and derive spatial structure from sparsely sampled 3D piezoresponse force microcopy data, captured using the band-excitation (BE) techniqu…
Phase Diagrams of Single Layer Two-Dimensional Transition Metal Dichalcogenides: Landau Theory
Anna N. Morozovska, Eugene A. Eliseev, Kevin D. Stubbs +3
Single layer (SL) two-dimensional transition metal dichalcogenides (TMDs), such as MoS2, ReS2, WSe2, and MoTe2 have now become the focus of intensive fundamental and applied resear…
Mesoscopic theory of defect ordering-disordering transitions in thin oxide films
Anna N. Morozovska, Eugene A. Eliseev, Dmitry V. Karpinsky +4
Ordering of mobile defects in functional materials can give rise to fundamentally new phases possessing ferroic and multiferroic functionalities. Here we develop the Landau theory…
Inversion of lattice models from the observations of microscopic degrees of freedom: parameter estimation with uncertainty quantification
Sai Mani Prudhvi Valleti, Lukas Vlcek, Rama K. Vasudevan +1
Experimental advances in condensed matter physics and material science have enabled ready access to atomic-resolution images, with resolution of modern tools often sufficient to ex…
Order and randomness in dopant distributions: exploring the thermodynamics of solid solutions from atomically resolved imaging
Lukas Vlcek, Shize Yang, Yongji Gong +6
Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work…