216 citations · 1.7k across the 49 of their papers we have counts for
49 papers
Origin of correlated isolated flat bands in copper-substituted lead phosphate apatite
Sinéad M. Griffin
A recent report of room temperature superconductivity at ambient pressure in Cu-substituted apatite (`LK99') has invigorated interest in the understanding of what materials and mec…
Intrinsic Origin and Enhancement of Topological Responses in Ferrimagnetic Antiperovskite Mn4N
Temuujin Bayaraa, Vsevolod Ivanov, Liang Z. Tan +1
Using first-principles calculations we investigate the intrinsic origins of the anomalous Hall effect (AHE) and the anomalous Nernst effect (ANE) in antiperovskite ferrimagnet Mn4N…
On the effects of strain, defects, and interactions on the topological properties of HfTe5
Na Hyun Jo, Omar A. Ashour, Zhixue Shu +7
Topological insulators are characterized by spin-momentum-locked massless surface states which are robust under various perturbations. Manipulating such surface states is a topic o…
High-throughput identification of spin-photon interfaces in silicon
Yihuang Xiong, Céline Bourgois, Natalya Sheremetyeva +6
Color centers in host semiconductors are prime candidates for spin-photon interfaces that would enable numerous quantum applications. The discovery of an optimal spin-photon interf…
Local atomic stacking and symmetry in twisted graphene trilayers
Isaac M. Craig, Madeline Van Winkle, Catherine Groschner +7
Moiré superlattices formed from twisting trilayers of graphene are an ideal model for studying electronic correlation, and offer several advantages over bilayer analogues, includin…
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…
Midgap state requirements for optically active quantum defects
Yihuang Xiong, Milena Mathew, Sinéad M. Griffin +2
Optically active quantum defects play an important role in quantum sensing, computing, and communication. The electronic structure and the single-particle energy levels of these qu…
Large ordered moment with strong easy-plane anisotropy and vortex-domain pattern in the kagome ferromagnet FeSn
Lilian Prodan, Donald M. Evans, Sinéad M. Griffin +8
We report the structural and magnetic properties of high-quality bulk single crystals of the kagome ferromagnet FeSn. The dependence of magnetisation on the magnitude and orien…
Structural spillage: an efficient method to identify non-crystalline topological materials
Daniel Muñoz-Segovia, Paul Corbae, Dániel Varjas +3
While topological materials are not restricted to crystals, there is no efficient method to diagnose topology in non-crystalline solids such as amorphous materials. Here we introdu…
Broad-Range Directional Detection of Light Dark Matter in Cryogenic Ice
Nora Taufertshöfer, Maurice Garcia-Sciveres, Sinéad M. Griffin
We propose hexagonal ice (HO) as a new target for light dark matter (DM) direct detection. Ice, a polar material, is suitable for single phonon detection through DM scattering…
Prediction of topological phases in metastable ferromagnetic MPX monolayers
Natalya Sheremetyeva, Ilyoun Na, Anay Saraf +2
Density functional theory calculations are carried out to study the electronic and topological properties of P ( = Mn, Fe, Co, Ni, and = S, Se) monolayers in the fer…
Strongly correlated itinerant magnetism on the boundary of superconductivity in a magnetic transition metal dichalcogenide
Nikola Maksimovic, Ryan Day, Na-Hyun Jo +8
Metallic ferromagnets with strongly interacting electrons often exhibit remarkable electronic phases such as ferromagnetic superconductivity, complex spin textures, and nontrivial…
Solving Complex Nanostructures With Ptychographic Atomic Electron Tomography
Philipp M Pelz, Sinead Griffin, Scott Stonemeyer +6
Transmission electron microscopy (TEM) is a potent technique for the determination of three-dimensional atomic scale structure of samples in structural biology and materials scienc…
Nonunique fraction of Fock exchange for defects in two-dimensional materials
Wei Chen, Sinéad M. Griffin, Gian-Marco Rignanese +1
By investigating the vacancy and substitutional defects in monolayer WS with hybrid functionals, we find that there is no unique amount of Fock exchange that concurrently satis…
Computational needs of quantum mechanical calculations of materials for high-energy physics
Sinéad M. Griffin
Searches for new physics in high-energy physics (HEP) experiments commonly rely on interactions with materials. A burgeoning direction is the accurate calculation and design of mat…
First principles study of the T-center in Silicon
Diana Dhaliah, Yihuang Xiong, Alp Sipahigil +2
The T-center in silicon is a well-known carbon-based color center that has been recently considered for quantum technology applications. Using first principles computations, we sho…
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…
Microscopic Theory of Magnetic Disorder-Induced Decoherence in Superconducting Nb Films
Evan Sheridan, Thomas F. Harrelson, Eric Sivonxay +6
The performance of superconducting qubits is orders of magnitude below what is expected from theoretical estimates based on the loss tangents of the constituent bulk materials. Thi…
Elucidating the local atomic and electronic structure of amorphous oxidized superconducting niobium films
Thomas F. Harrelson, Evan Sheridan, Ellis Kennedy +8
Qubits made from superconducting materials are a mature platform for quantum information science application such as quantum computing. However, materials-based losses are now a li…
Theoretical investigation of decoherence channels in athermal phonon sensors
Thomas F. Harrelson, Ibrahim Hajar, Omar A. Ashour +1
The creation and evolution of nonequilibrium phonons is central in applications ranging from cosmological particle searches to decoherence processes in qubits. However, the fundame…
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…
Axion-matter coupling in multiferroics
Henrik S. Røising, Benjo Fraser, Sinéad M. Griffin +4
Multiferroics (MFs) are materials with two or more ferroic orders, like spontaneous ferroelectric and ferromagnetic polarizations. Such materials can exhibit a magnetoelectric effe…
Localization and reduction of superconducting quantum coherent circuit losses
M. Virginia P. Altoé, Archan Banerjee, Cassidy Berk +16
Quantum sensing and computation can be realized with superconducting microwave circuits. Qubits are engineered quantum systems of capacitors and inductors with non-linear Josephson…