arXiv subjects

Nicholas R. Hutzler

Publications and source records attributed to Nicholas R. Hutzler.

At least 37 records · Page 2Linked to original sources

arXiv2023

Characterizing the Fundamental Bending Vibration of a Linear Polyatomic Molecule for Symmetry Violation Searches

Polyatomic molecules have been identified as sensitive probes of charge-parity violating and parity-violating physics beyond the Standard Model (BSM). For example, many linear triatomic molecules are both laser-coolable and have parity doublets in the ground electronic $\tilde{X} {}^2Σ^+ (010)$ state arising from the bending vibration, both features that can greatly aid BSM searches. Understanding the $\tilde{X} {}^2Σ^+ (010)$ state is a crucial prerequisite to precision measurements with linear polyatomic molecules. Here, we characterize fundamental bending vibration of ${}^{174}$YbOH using high-resolution optical spectroscopy on the nominally forbidden $\tilde{X} {}^2Σ^+ (010) \rightarrow \tilde{A} {}^2Π_{1/2} (000)$ transition at 588 nm. We assign 39 transitions originating from the lowest rotational levels of the $\tilde{X} {}^2Σ^+ (010)$ state, and accurately model the state's structure with an effective Hamiltonian using best-fit parameters. Additionally, we perform Stark and Zeeman spectroscopy on the $\tilde{X} {}^2Σ^+ (010)$ state and fit the molecule-frame dipole moment to $D_\mathrm{mol}=2.16(1)$ D and the effective electron $g$-factor to $g_S=2.07(2)$. Further, we use an empirical model to explain observed anomalous line intensities in terms of interference from spin-orbit and vibronic perturbations in the excited $\tilde{A} {}^2Π_{1/2} (000)$ state. Our work is an essential step toward searches for BSM physics in YbOH and other linear polyatomic molecules.

physics.atom-ph↗

arXiv2022

Snowmass 2021: Quantum Sensors for HEP Science -- Interferometers, Mechanics, Traps, and Clocks

A wide range of quantum sensing technologies are rapidly being integrated into the experimental portfolio of the high energy physics community. Here we focus on sensing with atomic interferometers; mechanical devices read out with optical or microwave fields; precision spectroscopic methods with atomic, nuclear, and molecular systems; and trapped atoms and ions. We give a variety of detection targets relevant to particle physics for which these systems are uniquely poised to contribute. This includes experiments at the precision frontier like measurements of the electron dipole moment and electromagnetic fine structure constant and searches for fifth forces and modifications of Newton's law of gravity at micron-to-millimeter scales. It also includes experiments relevant to the cosmic frontier, especially searches for gravitional waves and a wide variety of dark matter candidates spanning heavy, WIMP-scale, light, and ultra-light mass ranges. We emphasize here the need for more developments both in sensor technology and integration into the broader particle physics community.

quant-ph↗

arXiv2022

Molecular enhancement factors for P, T-violating eEDM in BaCH$_3$ and YbCH$_3$ symmetric top molecules

High-precision tests of fundamental symmetries are looking for the parity- (P), time-reversal- (T) violating electric dipole moment of the electron (eEDM) as proof of physics beyond the Standard Model. Particularly, in polyatomic molecules, the complex vibrational and rotational structure gives the possibility to reach high enhancement of the P, T-odd effects in moderate electric fields. Additionally, it is possible to increase the statistical sensitivity by using laser cooling. In this work, we calculate the P, T-odd electronic structure parameters $W_\mathrm{d}$ and $W_\mathrm{s}$ for the promising candidates BaCH$_3$ and YbCH$_3$ for the interpretation of future experiments. We employ high-accuracy relativistic coupled cluster methods and systematically evaluate the uncertainties of our computational approach. Compared to other Ba- and Yb-containing molecules, BaCH$_3$ and YbCH$_3$ exhibit larger $W_\mathrm{d}$ and $W_\mathrm{s}$ associated to increased covalent character of the M--C bond. The calculated values are $3.22\pm 0.11 \times 10^{24}\frac{h\text{Hz}}{e\text{cm}}$ and $13.80\pm 0.35 \times 10^{24}\frac{h\text{Hz}}{e\text{cm}}$ for $W_\mathrm{d}$, and $8.42\pm0.29$~$h$kHz and $45.35\pm1.15$~$h$kHz for $W_\mathrm{s}$, in BaCH$_3$ and YbCH$_3$, respectively. The robust, accurate, and cost-effective computational scheme reported in this work makes our results suitable for extracting the relevant fundamental properties from future measurements and also can be used to explore other polyatomic molecules sensitive to various violations of fundamental symmetries.

physics.chem-ph↗

arXiv2022

Multivalent optical cycling centers in polyatomic molecules

Optical control of polyatomic molecules promises new opportunities in precision metrology, fundamental chemistry, quantum information, and many-body science. Contemporary experimental and theoretical efforts have mostly focused on cycling photons via excitation of a single electron localized to an alkaline earth (group 2)-like metal center. In this manuscript, we consider pathways towards optical cycling in polyatomic molecules with multi-electron degrees of freedom, which arise from two or more cycling electrons localized to $p$-block post-transition metal and metalloid (group 13, 14, and 15) centers. We characterize the electronic structure and rovibrational branching of several prototypical candidates using ab initio quantum chemical methods. Despite increased internal complexity and challenging design parameters, we find several molecules possessing quasi-closed photon cycling schemes with highly diagonal, visible and near-infrared transitions. Furthermore, we identify new heuristics for engineering optically controllable and laser-coolable polyatomic molecules with multi-electron cycling centers. Our results help elucidate the interplay between hybridization, repulsion, and ionicity in optically active species and provide a first step towards using polyatomic molecules with complex electronic structure as a resource for quantum science and measurement.

physics.atom-ph↗

arXiv2022

Electric dipole moments and the search for new physics

Static electric dipole moments of nondegenerate systems probe mass scales for physics beyond the Standard Model well beyond those reached directly at high energy colliders. Discrimination between different physics models, however, requires complementary searches in atomic-molecular-and-optical, nuclear and particle physics. In this report, we discuss the current status and prospects in the near future for a compelling suite of such experiments, along with developments needed in the encompassing theoretical framework.

hep-ph↗

arXiv2021

Suppression of the optical crosstalk in a multi-channel silicon photomultiplier array

We propose and study a method of optical crosstalk suppression for silicon photomultipliers (SiPMs) using optical filters. We demonstrate that attaching absorptive visible bandpass filters to the SiPM can substantially reduce the optical crosstalk. Measurements suggest that the absorption of near infrared light is important to achieve this suppression. The proposed technique can be easily applied to suppress the optical crosstalk in SiPMs in cases where filtering near infrared light is compatible with the application.

physics.ins-det↗

arXiv2021

Fine and hyperfine interactions in $^{171}$YbOH and $^{173}$YbOH

The odd isotopologues of ytterbium monohydroxide, $^{171,173}$YbOH, have been identified as promising molecules in which to measure parity (P) and time reversal (T) violating physics. Here we characterize the $\tilde{A}^{2}Π_{1/2}(0,0,0)-\tilde{X}^2Σ^+(0,0,0)$ band near 577 nm for these odd isotopologues. Both laser-induced fluorescence (LIF) excitation spectra of a supersonic molecular beam sample and absorption spectra of a cryogenic buffer-gas cooled sample were recorded. Additionally, a novel spectroscopic technique based on laser-enhanced chemical reactions is demonstrated and utilized in the absorption measurements. This technique is especially powerful for disentangling congested spectra. An effective Hamiltonian model is used to extract the fine and hyperfine parameters for the $\tilde{A}^{2}Π_{1/2}(0,0,0)$ and $\tilde{X}^2Σ^+(0,0,0)$ states. A comparison of the determined $\tilde{X}^2Σ^+(0,0,0)$ hyperfine parameters with recently predicted values (M. Denis, et al., J. Chem. Phys. $\bf{152}$, 084303 (2020), K. Gaul and R. Berger, Phys. Rev. A $\bf{101}$, 012508 (2020), J. Liu et al., J. Chem. Phys. $\bf{154}$, 064110 (2021)) is made. The measured hyperfine parameters provide experimental confirmation of the computational methods used to compute the P,T-violating coupling constants $W_d$ and $W_M$, which correlate P,T-violating physics to P,T-violating energy shifts in the molecule. The dependence of the fine and hyperfine parameters of the $\tilde{A}^{2}Π_{1/2}(0,0,0)$ and $\tilde{X}^2Σ^+(0,0,0)$ states for all isotopologues of YbOH are discussed and a comparison to isoelectronic YbF is made.

physics.atom-ph↗

arXiv2020

Simulation of Cryogenic Buffer Gas Beams

The cryogenic buffer gas beam (CBGB) is an important tool in the study of cold and ultracold molecules. While there are known techniques to enhance desired beam properties, such as high flux, low velocity, or reduced divergence, they have generally not undergone detailed numerical optimization. Numerical simulation of buffer gas beams is challenging, as the relevant dynamics occur in regions where the density varies by orders of magnitude, rendering standard numerical methods unreliable or intractable. Here, we present a hybrid approach to simulating CBGBs that combines gas dynamics methods with particle tracing. The simulations capture important properties such as velocities and divergence across an assortment of designs, including two-stage slowing cells and de Laval nozzles. This approach should therefore be a useful tool for optimizing CBGB designs across a wide range of applications.

physics.atom-ph↗

arXiv2020

Probing Fundamental Symmetries of Deformed Nuclei in Symmetric Top Molecules

Precision measurements of Schiff moments in heavy, deformed nuclei are sensitive probes of beyond Standard Model $T,P$-violation in the hadronic sector. While the most sensitive limits on Schiff moments to date are set with diamagnetic atoms, polar polyatomic molecules can offer higher sensitivities with unique experimental advantages. In particular, symmetric top molecular ions possess $K$-doublets of opposite parity with especially small splittings, leading to full polarization at low fields, internal co-magnetometer states useful for rejection of systematic effects, and the ability to perform sensitive searches for $T,P$-violation using a small number of trapped ions containing heavy exotic nuclei. We consider the symmetric top cation $^{225}$RaOCH$_3^+$ as a prototypical and candidate platform for performing sensitive nuclear Schiff measurements and characterize in detail its internal structure using relativistic ab initio methods. The combination of enhancements from a deformed nucleus, large polarizability, and unique molecular structure make this molecule a promising platform to search for fundamental symmetry violation even with a single trapped ion.

physics.atom-ph↗

arXiv2020

Polyatomic Molecules as Quantum Sensors for Fundamental Physics

Precision measurements in molecules have advanced rapidly in recent years through developments in techniques to cool, trap, and control. The complexity of molecules makes them a challenge to study, but also offers opportunities for enhanced sensitivity to many interesting effects. Polyatomic molecules offer additional complexity compared to diatomic molecules, yet are still "simple" enough to be laser-cooled and controlled. While laser cooling molecules is still a research frontier itself, there are many proposed and ongoing experiments seeking to combine the advanced control enabled by ultracold temperatures with the intrinsic sensitivity of molecules. In this perspective, we discuss some applications where laser-cooled polyatomic molecules may offer advantages for precision measurements of fundamental physics, both within and beyond the Standard Model.

physics.atom-ph↗

arXiv2019

Enhanced $\mathcal{P,T}$-violating nuclear magnetic quadrupole moment effects in laser-coolable molecules

Nuclear magnetic quadrupole moments (MQMs), like intrinsic electric dipole moments of elementary particles, violate both parity and time-reversal symmetry and therefore probe physics beyond the Standard Model of particle physics. We report on accurate relativistic coupled cluster calculations of the nuclear MQM interaction constants in BaF, YbF, BaOH, and YbOH. We elaborate on estimates of the uncertainty of our results. The implications of experiments searching for nonzero nuclear MQMs are discussed.

physics.atom-ph↗

arXiv2019

Enhanced Yield from a Cryogenic Buffer Gas Beam Source via Excited State Chemistry

We use narrow-band laser excitation of Yb to substantially enhance the brightness of a cold beam of YbOH, a polyatomic molecule with high sensitivity to physics beyond the Standard Model (BSM). By exciting atomic Yb to the metastable $^3$P$_1$ state in a cryogenic environment, we significantly increase the chemical reaction cross-section for collisions of Yb with reactants. We characterize the dependence of the enhancement on the properties of the laser light, and study the final state distribution of the YbOH products. The resulting bright, cold YbOH beam can be used to increase the statistical sensitivity in searches for new physics utilizing YbOH, such as electron electric dipole moment (eEDM) and nuclear magnetic quadrupole moment (NMQM) experiments. We also perform new quantum chemical calculations that confirm the enhanced reactivity observed in our experiment. Additionally, our calculations compare reaction pathways of Yb($^3$P) with the reactants H$_2$O and H$_2$O$_2$. More generally, our work presents a broad approach for improving experiments that use cryogenic molecular beams for laser cooling and precision measurement searches of BSM physics.

physics.atom-ph↗

arXiv2019

Chi-squared Test for Binned, Gaussian Samples

We examine the $χ^2$ test for binned, Gaussian samples, including effects due to the fact that the experimentally available sample standard deviation and the unavailable true standard deviation have different statistical properties. For data formed by binning Gaussian samples with bin size $n$, we find that the expected value and standard deviation of the reduced $χ^2$ statistic is \begin{equation} \frac{n-1}{n-3}\pm \frac{n-1}{n-3}\sqrt{\frac{n-2}{n-5}}\sqrt{\frac{2}{N-1}}, \end{equation} where $N$ is the total number of binned values. This is strictly larger in both mean and standard deviation than the value of $1\pm (2/(N-1))^{1/2}$ reported in standard treatments, which ignore the distinction between true and sample standard deviation.

physics.data-an↗

arXiv2019

Hypermetallic Polar Molecules for Precision Measurements

Laser cooling is a powerful method to control molecules for applications in precision measurement, as well as quantum information, many-body physics, and fundamental chemistry. However, many optically-active metal centers in valence states which are promising for these applications, especially precision measurement, are difficult to laser cool. In order to extend the control afforded by laser cooling to a wider array of promising atoms, we consider the use of small, hypermetallic molecules that contain multiple metal centers. We provide a detailed analysis of YbCCCa and YbCCAl as prototypical examples with different spin multiplicities, and consider their feasibility for precision measurements making use of the heavy Yb atom. We find that these molecules are linear and feature metal-centered valence electrons, and study the complex hybridization and spin structures that are relevant to photon cycling and laser cooling. Our findings suggest that this hypermetallic approach may be a versatile tool for experimental control of metal species that do not otherwise efficiently cycle photons, and could present a new polyatomic platform for state-of-the-art precision measurements.

physics.atom-ph↗

arXiv2019

Enhancement factor for the electric dipole moment of the electron in the BaOH and YbOH molecules

Polyatomic polar molecules are promising systems for future experiments that search for violation of time-reversal and parity symmetries due to their advantageous electronic and vibrational structure, which allows laser cooling, full polarisation of the molecule, and reduction of systematic effects [I. Kozyryev and N.R. Hutzler, Phys, Rev. Lett. {\bf 119}, 133002 (2017)]. In this work we investigate the enhancement factor of the electric dipole moment of the electron ($E_\text{eff}$) in the triatomic monohydroxide molecules BaOH and YbOH within the high-accuracy relativistic coupled cluster method. The recommended $E_\text{eff}$ values of the two systems are 6.65 $\pm$ 0.15 GV/cm and 23.4 $\pm$ 1.0 GV/cm, respectively. We compare our results with similar calculations for the isoelectronic diatomic molecules BaF and YbF, which are currently used in experimental search for $P,T$-odd effects in molecules. The $E_\text{eff}$ values prove to be very close, within about 1.5 $\%$ difference in magnitude between the diatomic and the triatomic compounds. Thus, BaOH and YbOH have a similar enhancement of the electron electric dipole moment, while benefiting from experimental advantages, and can serve as excellent candidates for next-generation experiments.

physics.atom-ph↗

arXiv2018

The pure rotational spectrum of YbOH

The pure rotational spectrum of YbOH has been recorded and analyzed to produce fine and magnetic hyperfine parameters for the $\tilde{X}^2Σ^+$(0,0,0) state. These parameters are compared with those determined from the optical study [Melville and Coxon, J. Chem. Phys. 115, 6974-6978 (2001)] and with the values for YbF [Dickinson et al. 115, 6979-6989 (2001)]. The results support the existence of an unobserved perturbing state near the $\tilde{A}^2Π_{1/2}$ state, similar to that previously found in YbF. The precisely determined parameters lay the foundation for laser cooling YbOH, which will aid in the search for new physics beyond the standard model.

physics.chem-ph↗

arXiv2018

Shaped nozzles for cryogenic buffer gas beam sources

Cryogenic buffer gas beams are important sources of cold molecules. In this work we explore the use of a converging-diverging nozzle with a buffer-gas beam. We find that, under appropriate circumstances, the use of a nozzle can produce a beam with improved collimation, lower transverse temperatures, and higher fluxes per solid angle.

physics.atom-ph↗

arXiv2018

Motional Ground State Cooling Outside the Lamb-Dicke Regime

We report Raman sideband cooling of a single sodium atom to its three-dimensional motional ground state in an optical tweezer. Despite a large Lamb-Dicke parameter, high initial temperature, and large differential light shifts between the excited state and the ground state, we achieve a ground state population of $93.5(7)$% after $53$ ms of cooling. Our technique includes addressing high-order sidebands, where several motional quanta are removed by a single laser pulse, and fast modulation of the optical tweezer intensity. We demonstrate that Raman sideband cooling to the 3D motional ground state is possible, even without tight confinement and low initial temperature.

physics.atom-ph↗