120 citations · 476 across the 19 of their papers we have counts for
20 papers
Probing (sub)nanoscale ferrons in an electron microscope
Mahir Manna, Fei Yang, Shayantan Chaudhuri +13
Ferrons are collective excitations of polarization fluctuations that can enable terahertz communications and quantum transduction due to long propagation lengths. Although ferrons…
The Future of Computing for Materials Science Challenges
Phalgun Lolur, Richard P. Padbury, George H. Booth +10
Materials discovery increasingly relies on the coordinated use of theory, computation, experiment, data-driven methods, and emerging quantum technologies, yet the full potential of…
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
Polar Topologies in a Ferroelastic Metal Membrane
Rahil Haria, Noah Schnitzer, T. Ben Britton +10
Polar metals, materials in which electric polarisation and metallicity coexist, are exceptionally rare because itinerant electrons screen long-range dipoles and favour centrosymmet…
Looking down the rabbit hole: Towards quantum optimal estimation of surface roughness
Quentin Muller, Tommaso Tufarelli, Madalin Guta +3
Surface roughness is an important quantity to many engineering and precision manufacturing disciplines. In this paper we investigate the problem of estimating the root-mean-square…
Multiplet structure of chromium(III) dopants in wide band gap materials
Ilya Popov, Petros-Panagis Filippatos, Shayantan Chaudhuri +3
Transition metal doping is commonly used for altering the properties of solid-state materials to suit applications in science and technology. Partially filled -shells of transit…
Revisiting intrinsic spin defects in hexagonal boron nitride with r2SCAN
Petros-Panagis Filippatos, Tom J. P. Irons, Katherine Inzani
Hexagonal boron nitride (hBN) is a wide band gap, van der Waals material that is highly promising for solid-state quantum technologies as a host of optically addressable, paramagne…
Local interface effects modulate global charge order and optical properties of 1T-TaS/1H-WSe heterostructures
Samra Husremović, Valerie S. McGraw, Medha Dandu +14
1T-TaS is a layered charge density wave (CDW) crystal exhibiting sharp phase transitions and associated resistance changes. These resistance steps could be exploited for inform…
Dark Matter-Electron Detectors for Dark Matter-Nucleon Interactions
Sinéad M. Griffin, Guy Daniel Hadas, Yonit Hochberg +2
In a seminal paper now a decade old, it was shown that dark matter detectors geared at probing interactions with nucleons could also be used to probe dark matter interactions with…
Edge-sharing quasi-one-dimensional cuprate fragments in optimally substituted Cu/Pb apatite
Katherine Inzani, John Vinson, Sinéad M. Griffin
The flurry of theoretical and experimental studies following the report of room-temperature superconductivity at ambient pressure in Cu-substituted lead apatite CuPb(P…
Encoding multistate charge order and chirality in endotaxial heterostructures
S. Husremović, B. H. Goodge, M. Erodici +9
High-density phase change memory (PCM) storage is proposed for materials with multiple intermediate resistance states, which have been observed in 1-TaS due to charge densit…
Hard ferromagnetism down to the thinnest limit of iron-intercalated tantalum disulfide
Samra Husremović, Katherine Inzani, Catherine K. Groschner +11
Two-dimensional (2D) magnetic crystals hold promise for miniaturized and ultralow power electronic devices that exploit spin manipulation. In these materials, large, controllable m…
Manipulation of spin orientation via ferroelectric switching in Fe-doped Bi2WO6 from first principles
Katherine Inzani, Nabaraj Pokhrel, Nima Leclerc +4
Atomic-scale control of spins by electric fields is highly desirable for future technological applications. Magnetically-doped Aurivillius-phase oxides present one route to achieve…
Extended Calculation of Dark Matter-Electron Scattering in Crystal Targets
Sinéad M. Griffin, Katherine Inzani, Tanner Trickle +2
We extend the calculation of dark matter direct detection rates via electronic transitions in general dielectric crystal targets, combining state-of-the-art density functional theo…
A single-projection three-dimensional reconstruction algorithm for scanning transmission electron microscopy data
Hamish G. Brown, Philipp M. Pelz, Shang-Lin Hsu +13
Increasing interest in three-dimensional nanostructures adds impetus to electron microscopy techniques capable of imaging at or below the nanoscale in three dimensions. We present…
SiC Detectors for Sub-GeV Dark Matter
Sinéad M. Griffin, Yonit Hochberg, Katherine Inzani +3
We propose the use of silicon carbide (SiC) for direct detection of sub-GeV dark matter. SiC has properties similar to both silicon and diamond, but has two key advantages: (i) it…
Prediction of Tunable Spin-Orbit Gapped Materials for Dark Matter Detection
Katherine Inzani, Alireza Faghaninia, Sinéad M. Griffin
New ideas for low-mass dark matter direct detection suggest that narrow band gap materials, such as Dirac semiconductors, are sensitive to the absorption of meV dark matter or the…
Multi-Channel Direct Detection of Light Dark Matter: Target Comparison
Sinead M. Griffin, Katherine Inzani, Tanner Trickle +2
Direct detection experiments for light dark matter are making enormous leaps in reaching previously unexplored model space. Several recent proposals rely on collective excitations,…
Multi-Channel Direct Detection of Light Dark Matter: Theoretical Framework
Tanner Trickle, Zhengkang Zhang, Kathryn M. Zurek +2
We present a unified theoretical framework for computing spin-independent direct detection rates via various channels relevant for sub-GeV dark matter -- nuclear recoils, electron…
Charged domain walls in improper ferroelectric hexagonal manganites and gallates
Didrik R. Småbråten, Quintin N. Meier, Sandra H. Skjærvø +3
Ferroelectric domain walls are attracting broad attention as atomic-scale switches, diodes and mobile wires for next-generation nanoelectronics. Charged domain walls in improper fe…