121 citations · 358 across the 22 of their papers we have counts for
23 papers
Phonon-induced electronic degeneracy breaking: a SSAdNDP interpretation
Javiera Cabezas-Escares, Andrea Echeverri, Francisco Muñoz +1
This work explores how phonon perturbations can induce the breaking of electronic degeneracies near the Fermi level and how this response can be interpreted from a chemical perspec…
Mapping the three-dimensional fermiology of the triangular lattice magnet EuAgSb
J. Green, Harry W. T. Morgan, Morgaine Mandigo-Stoba +9
In this paper, we report the temperature-field phase diagram as well as present a comprehensive study of the electronic structure and three-dimensional fermiology of the triangular…
Bottom-up approach to scalable growth of molecules capable of optical cycling
Guanming Lao, Taras Khvorost, Antonio Macias +10
Gas-phase molecules capable of repeatable, narrow-band spontaneous photon scattering are prized for direct laser cooling and quantum state detection. Recently, large molecules inco…
Aperiodic defects in periodic solids
Robert H. Lavroff, Daniel Kats, Lorenzo Maschio +4
To date, computational methods for modeling defects (vacancies, adsorbates, etc.) rely on periodic supercells in which the defect is far enough from its repeated image such that th…
Fermiology and transport properties of the proposed topological crystalline insulator SrAg4Sb2
J Green, Eve Emmanouilidou, Harry W. T. Morgan +5
Compared to time-reversal symmetry-protected Z2 topological insulators and Dirac/Weyl semimetals, there are significantly fewer candidates for topological crystalline insulators. S…
Laser excitation of the Th nuclear isomeric transition in a solid-state host
R. Elwell, Christian Schneider, Justin Jeet +6
LiSrAlF crystals doped with Th are used in a laser-based search for the nuclear isomeric transition. Two spectroscopic features near the nuclear transition energy are o…
Extending the large molecule limit: The role of Fermi resonance in developing a quantum functional group
Guo-Zhu Zhu, Guanming Lao, Claire E. Dickerson +4
Polyatomic molecules equipped with optical cycling centers (OCCs), enabling continuous photon scattering during optical excitation, are exciting candidates for advancing quantum in…
Single molecule superradiance for optical cycling
Claire E. Dickerson, Anastassia N. Alexandrova, Prineha Narang +1
Herein, we show that single molecules containing multiple optical cycling centers (CaO moieties) can exhibit superradiant phenomena. We demonstrate the accuracy of the Frenkel exci…
Electronic Structure and Vibrational Stability of Copper-substituted Lead Apatite (LK-99)
J. Cabezas-Escares, N. F. Barrera, R. H. Lavroff +3
Two recent preprints in the physics archive (arXiv) have called attention as they claim experimental evidence that a Cu-substituted apatite material (dubbed LK-99) exhibits superco…
Probing the limits of optical cycling in a predissociative diatomic molecule
Qi Sun, Claire E. Dickerson, Jinyu Dai +6
Molecular predissociation is the spontaneous, nonradiative bond breaking process that can occur upon excitation. In the context of laser cooling, predissociation is an unwanted con…
Laser spectroscopy of aromatic molecules with optical cycling centers: strontium (I) phenoxides
Guanming Lao, Guo-Zhu Zhu, Claire E. Dickerson +5
We report the production and spectroscopic characterization of strontium (I) phenoxide (, or SrOPh) and variants featuring electron-withdrawing groups…
Fully saturated hydrocarbons as hosts of optical cycling centers
Claire E. Dickerson, Cecilia Chang, Han Guo +1
Designing closed, laser-induced optical cycling transitions in trapped atoms or molecules is useful for quantum information processing, precision measurement, and quantum sensing.…
Pathway Towards Optical Cycling and Laser Cooling of Functionalized Arenes
Debayan Mitra, Zack D. Lasner, Guo-Zhu Zhu +8
Rapid and repeated photon cycling has enabled precision metrology and the development of quantum information systems using a variety of atoms and simple molecules. Extending optica…
Functionalizing Aromatic Compounds with Optical Cycling Centers
Guo-Zhu Zhu, Debayan Mitra, Benjamin L. Augenbraun +9
Molecular design principles provide guidelines for augmenting a molecule with a smaller group of atoms to realize a desired property or function. We demonstrate that these concepts…
Franck-Condon tuning of optical cycling centers by organic functionalization
Claire E. Dickerson, Han Guo, Ashley J. Shin +4
Laser induced electronic excitations that spontaneously emit photons and decay directly to the initial ground state ("optical cycling transitions") are used in quantum information…
Coking-Resistant Sub-Nano Dehydrogenation Catalysts: PtSn/SiO (n = 4, 7)
Timothy J. Gorey, Borna Zandkarimi, Guangjing Li +3
We present a combined experimental/theoretical study of Pt/SiO and PtSn/SiO (n = 4, 7) model catalysts for the endothermic dehydrogenation of hydrocarbons, usin…
Sn-modification of Pt7/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability
Guangjing Li, Borna Zandkarimi, Ashley C. Cass +4
An atomic layer deposition process is used to modify size-selected Pt7/alumina model catalysts by Sn addition, both before and after Pt7 cluster deposition. Surface science methods…
Dynamical Bonding Driving Mixed Valency in a Metal Boride
Paul J. Robinson, Julen Munarriz, Michael E. Valentine +6
Samarium hexaboride is an anomaly, having many exotic and seemingly mutually incompatible properties. It was proposed to be a mixed-valent semiconductor, and later - a topological…
Assembling Di- and Multiatomic Si Clusters in Graphene via Electron Beam Manipulation
Ondrej Dyck, Songkil Kim, Elisa Jimenez-Izal +3
We demonstrate assembly of di-, tri- and tetrameric Si clusters on the graphene surface using sub-atomically focused electron beam of a scanning transmission electron microscope. H…
Photo-driven Molecular Wankel Engine B
Jin Zhang, Alina P. Sergeeva, Manuel Sparta +1
We report a molecular Wankel motor, the dual-ring structure B13+, driven by circularly-polarized infrared electromagnetic radiation, under which a guided uni-directional rotation o…
Structures of Li-Doped Alkali Clusters are Dictated by AO-Hybridization
Anastassia N. Alexandrova
Hybridization of atomic orbitals is a widely appreciated phenomenon whose impact on the structure and properties of, for example, organic molecules is well-established. Here, we de…
Aromaticity in a Surface Deposited Cluster: Pd on TiO (110)
Jin Zhang, Anastassia N. Alexandrova
We report the presence of σ-aromaticity in a surface deposited cluster, Pd on TiO (110). In the gas phase, Pd adopts a tetrahedral structure. However, surface binding p…
Structure, stability, and mobility of small Pd clusters on the stoichiometric and defective TiO (110) surfaces
Jin Zhang, Anastassia N. Alexandrova
We report on the structure and adsorption properties of Pd () clusters supported on the rutile TiO (110) surfaces with the possible presence of a surface oxygen vaca…