High-Resolution In-Situ Synchrotron X-Ray Studies of Inorganic Perovskite CsPbBr[subscript 3]: New S
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Liu, Sizhan↗
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Brown-York charges at null boundaries
The Brown-York stress tensor provides a means for defining quasilocal gravitational charges in subregions bounded by a timelike hypersurface. We consider the generalization of this stress tensor to null hypersurfaces. Such a stress tensor can be derived from the on-shell subregion action of general relativity associated with a Dirichlet variational principle, which fixes an induced Carroll structure on the null boundary. The formula for the mixed-index tensor T i j takes a remarkably simple form that is manifestly independent of the choice of auxiliary null vector at the null surface, and we compare this expression to previous proposals for null Brown-York stress tensors. The stress tensor we obtain satisfies a covariant conservation equation with respect to any connection induced from a rigging vector at the hypersurface, as a result of the null constraint equations. For transformations that act covariantly on the boundary structures, the Brown-York charges coincide with canonical charges constructed from a version of the Wald-Zoupas procedure. For anomalous transformations, the charges differ by an intrinsic functional of the boundary geometry, which we explicity verify for a set of symmetries associated with finite null hyper-surfaces. Applications of the null Brown-York stress tensor to symmetries of asymptotically flat spacetimes and celestial holography are discussed.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Anisotropic Superconducting Gap in Optimally Doped Iron–Based Material
In this work we offer a comprehensive optical investigation of the optimally hole-doped Ba 0.6 K 0.4 Fe 2 As 2 over a broad spectral range, as a function of temperature and of tunable applied stress, which acts as an external symmetry breaking field. We show that there is a large electronic nematicity at optimal doping which extends right under the superconducting dome and implies an anisotropy of the superconducting energy gaps.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
High Pressure X-ray Diffraction and Equation of State of Hydrazine
Synchrotron X-ray diffraction has been used to investigate the structure and equation of state (EOS) of hydrazine (N 2 H 4 ) up to 54.3 GPa at 298 K. The diffraction patterns could be fit to a monoclinic unit-cell structure and put strong constraints on previously reported phase transitions documented by vibrational spectroscopy over this pressure range. Pressure–volume ( P–V ) data were fit using a Vinet EOS, yielding parameters: V 0 = 45.2 Å 3 /molecule (fixed), K 0 = 11.8(7) GPa, and K 0 ′ = 6.5(2). Previously measured high-pressure vibrational frequency shifts were used to estimate the vibrational free energy and model P–V–T isotherms from 0 to 1200 K. The results of the P–V–T isotherms are compared to existing shock Hugoniot data on hydrazine and 298 K isotherms for assemblages of possible decomposition products. This comparison suggests dissociation at high density under shock loading. Good correspondence was found between the static lattice EOS as calculated by the model and the previously reported EOS as calculated by density functional theory. Finally, these results resolve existing uncertainties about the EOS and crystal symmetry of hydrazine at high pressure and provide valuable baseline information on this important energetic material.
diffraction↗
Raman studies of hydrogen trapped in As 4 O 6 ·2H 2 at high pressure and low temperature
In this work, Raman spectroscopic measurements of the arsenolite–hydrogen inclusion compound As 4 O 6 ·2H 2 were performed in diamond anvil cells at high pressure and variable temperature down to 80 K. The experimental results were complemented by ab initio molecular dynamics simulations and phonon calculations. Observation of three hydrogen vibrons in As 4 O 6 ·2H 2 is reported in the entire temperature and pressure range studied (up to 24 GPa). While the experiments performed with protium and deuterium at variable temperatures allowed for the assignment of two vibrons as Q 1 (1) and Q 1 (0) transitions of ortho and para spin isomers of hydrogen trapped in the inclusion compound, the origin of the third vibron could not be unequivocally established. Low-temperature spectra revealed that the lowest-frequency vibron is actually composed of two overlapping bands of A g and T 2g symmetries dominated by H 2 stretching modes as predicted by our previous density functional theory calculations. We observed low-frequency modes of As 4 O 6 ·2H 2 vibrations dominated by H 2 “librations,” which were missed in a previous study. A low-temperature fine structure was observed for the J = 0 → 2 and J = 1 → 3 manifolds of hydrogen trapped in As 4 O 6 ·2H 2 , indicating the lifting of degeneracy due to an anisotropic environment. A non-spherical distribution was captured by molecular dynamics simulations, which revealed that the trajectory of H 2 molecules is skewed along the crystallographic $\langle$111$\rangle$ direction. Last but not least, low-temperature synchrotron powder x-ray diffraction measurements on As 4 O 6 ·2H 2 revealed that the bulk structure of the compound is preserved down to 5 K at 1.6 GPa.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Nonlinear time-domain spectroscopy near a band inversion
We develop a theory for the nonlinear time-domain response of a semimetal driven by an ultrafast optical pulse. At quadratic order in the driving field we find that the response near a band inversion transition contains a coherent oscillating component proportional to field intensity with a frequency that can be tuned over a wide range (from terahertz to the near IR) selected by the chemical potential. Finally, we illustrate the effect by calculating the induced current as a function of time for a two-band system with time-reversal symmetry but broken parity symmetry to study semimetals where large Berry curvature near a band inversion transition promotes this nonlinear response.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Spin wave Hamiltonian and anomalous scattering in NiPS 3
Here, we report a comprehensive spin wave analysis of the semiconducting honeycomb van der Waal antiferromagnet NiPS 3 . Using single-crystal inelastic neutron scattering, we map out the full Brillouin zone and fit the observed modes to a spin wave model with rigorously defined uncertainty. We find that the third-nearest-neighbor exchange J 3 dominates the Hamiltonian, a feature which we fully account for by ab initio density functional theory calculations. We also quantify the degree to which the threefold rotation symmetry is broken and account for the Q = 0 excitations observed in other measurements, yielding a spin exchange model which is consistent across multiple experimental probes. We also identify a strongly reduced static ordered moment and reduced low-energy intensity relative to the linear spin wave calculations, signaling unexplained features in the magnetism which requires going beyond the linear spin wave approximation.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effective Action for Relativistic Hydrodynamics from the Crooks Fluctuation Theorem
A new effective theory framework for fluctuating hydrodynamics in the relativistic regime is derived using standard thermodynamical principles and general properties of nonequilibrium stochastic dynamics. For the first time, we establish clear and concise conditions for ensuring that the resulting effective theories are causal, stable, and well-posed within general relativity. Here, these properties are independent of spacetime foliation and are valid in the full nonlinear regime. Out-of-equilibrium fluctuations are constrained by a relativistically covariant version of the Crooks fluctuation theorem, which determines how the entropy production is distributed even when the system is driven by an external force. This leads to an emerging Z 2 symmetry responsible for imposing fluctuation-dissipation relations for n-point correlation functions, which matches the standard constraints for the Schwinger-Keldysh effective action.
Fluctuation theorems↗
Near-half-metallic state in the half-Heusler PtMnSb film on a III-V substrate
The interplay between half-metallic ferromagnetism and spin-orbit coupling within the inversion-symmetry-broken structure of half Heuslers provides an ideal platform for various spintronics functionalities. Taking advantage of good lattice matching, it is highly desired to epitaxially integrate promising Heuslers into III-V semiconductor-based devices. PtMnSb is one of the first half Heuslers predicted to be an above-room-temperature half-metal with large spin orbit coupling, however, its half-metallicity and potential as a spintronics material has remained elusive due to lack of high quality samples. Here, in this study, we demonstrate epitaxial growth of single crystal PtMnSb(001) film on GaSb(001) substrates using molecular beam epitaxy. Direct observation of the band structure via angle-resolved photoemission spectroscopy and many-body perturbation theory within the quasi-particle self-consistent GW approximation (QPGW) reveal that PtMnSb hosts rather a near-half-metallic state with both spin bands crossing the Fermi level and with high spin polarization over 90%. Temperature dependence of magnetization also shows an anomalous enhancement below 60 K, which can be associated with the development of such a near-half-metallic state at low temperatures. Epitaxial growth of high crystalline PtMnSb on a III-V paves the way for systematic clarification of its spin transport properties with fine-tuning of strain in heterostructure devices.
36 MATERIALS SCIENCE↗
Electronic structure of a nodal line semimetal candidate TbSbTe
The 𝐿𝑛SbTe (𝐿𝑛 = Lanthanides) family, like isostructural ZrSiS-type compounds, has emerged as a fertile playground for exploring the interaction of electronic correlations and magnetic ordering with the nodal line band topology. Here, we report on a detailed electronic band structure investigation of TbSbTe, corroborated by electrical transport, thermodynamic, and magnetic studies. Temperature-dependent magnetic susceptibility and thermodynamic transport studies indicate the onset of antiferromagnetic ordering below 𝑇 𝑁 ∼ 5.8K. The electronic band structure study, carried out with high-resolution angle-resolved photoemission spectroscopy measurements aided with density functional theory–based first-principles calculations reveal presence of a nonsymmorphic symmetry-protected Dirac crossing in the Γ-X high-symmetry (HS) direction, which is part of a nodal line along the X-R HS direction. Another Dirac crossing occurs along the Γ-X direction at a relatively higher binding energy, which occurs from $\tilde{𝒞}$ 2𝜈 𝒫 symmetry which is gapped in the theoretical calculations with the effect of spin-orbit coupling considered. Parallel to this direction, our theoretical calculations and experimental results exhibit strongly momentum-dependent surface bands. In this study, we open an avenue to further uncover the intricate interplay among symmetry-protected topological band structure, spin-orbit coupling, and magnetism in this material and the 𝐿𝑛SbTe family, in general.
Angle-resolved photoemission spectroscopy↗
Exploiting universal nonlocal dispersion in optically active materials for spectro-polarimetric computational imaging
Recent years have seen significant advancements in exploring novel light-matter interactions such as hyperbolic dispersion within natural crystals. However, current studies have predominantly concentrated on local optical response of materials characterized by a dielectric tensor without spatial dispersion. Here, we investigate the nonlocal response in optically-active crystals with screw symmetries, revealing their lossless, super-dispersive properties compared to traditional optical response functions. We leverage this universal nonlocal dispersion, i.e. the dispersion of optical rotatory power, to explore a novel spectral de-multiplexing scheme compared to conventional gratings, prisms and metasurfaces. We design and demonstrate an ‘Nonlocal-Cam’ - a camera that exploits nonlocal dispersion through sampling of polarized spectral states and the application of computational spectral reconstruction algorithms. The Nonlocal-Cam captures information in both laboratory and outdoor field experiments which is unavailable to traditional intensity cameras - the spectral texture of polarization. Merging the fields of nonlocal electrodynamics and computational imaging, our work paves the way for exploiting nonlocal optics of optically active materials in a variety of applications, from biological microscopy to physics-driven machine vision and remote sensing.
Wang, Xueji [Purdue Univ., West Lafayette, IN (Uni↗
MEASUREMENT OF Fn 2 /Fp 2 FROM DEEP INELASTIC ELECTRON SCATTERING OFF A=3 MIRROR NUCLEI AT JEFFERSON LAB
This research is part of the Je?erson Lab MARATHON experiment (MeAsurement of the Fn 2 /Fp 2 , d/u RAtios and A = 3 EMC E?ect in Deep Inelastic Electron Scattering Off the Tritium and Helium MirrOr Nuclei). MARATHON is an experiment on electron deep inelastic scattering off the 3H, 3He mirror nuclei. It has extracted, from the measured deep inelastic scattering cross section ratio o? 3H and 3He, the ratio of the neutron to proton inelastic structure functions Fn 2 /Fp 2 . The extraction has taken advantage of the isospin symmetry of the A = 3 mirror nuclei within a novel technique, which avoids the theoretical uncertainties that are present in the SLAC experiments of the 1970s, which used hydrogen and deuterium targets. The experiment was performed using the upgraded 11 GeV beam of the Jefferson Lab electron accelerator, the Hall A Experimental Facility, and a newly designed cryogenic, high-pressure gas target system containing 3H and 3He cells. Electrons scattered o? the gas targets were detected in the two superconducting, high-resolution magnetic spectrometers of Hall A. The cross section data cover the four-momentum transfer squared range 2.0 < Q2 < 14.0 (GeV/c)2, and the Bjorken x scaling variable range 0.19 < x < 0.83. The experiment also measured, for calibration purposes, electron deep inelastic scattering off hydrogen and deuterium at selected kinematics.
Su, Tong↗
Interplay of broken symmetry and delocalized excitations in the insulating state of 1 T –TaS 2
Coexistence of localized and extended excitations is central to the macroscopic properties of correlated materials. For 5d transition-metal compounds, electron correlations alone generally do not lead to a metal-insulator (Mott) transition, with insulating behavior usually resulting from their coupling with magnetic ordering and/or structural distortions. 1T–TaS 2 is a prototypical example of such correlated insulating behavior, with a high-symmetry metallic phase transforming into a distorted, charge-density wave (CDW) insulating state at low temperatures. The nature of the insulating phase as well as the existence and relevance of the localized electron physics remains debated. We resolve this standing controversy in 1T–TaS 2 combining resonant inelastic x-ray spectroscopy and first-principles calculations. We observe five electronic excitations arising from the interband transitions of the Ta 5d orbitals and the S 3p ligand state, with none of the excitations on the order of the Mott gap. These excitations cannot be explained within the framework of standard multiplet calculations that assume a localized wave function, but instead, are captured by a band-theory framework accounting for the low symmetry of the crystal field in the CDW state. Our findings suggest that the electronic properties of 1T–TaS 2 are dominated in the visible by both plasmonic quasiparticles and interband transitions, with no resonance associated with a putative Mott transition observed in the 0–3 eV energy range. Finally, our discovery provides insights into the electron localization and the Mott vs band-insulator debate in 1T–TaS 2 and other transition-metal materials.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
The emergence of valency in colloidal crystals through electron equivalents
Colloidal crystal engineering of complex, low-symmetry architectures is challenging when isotropic building blocks are assembled. In this study we describe an approach to generating such structures based upon programmable atom equivalents (nanoparticles functionalized with many DNA strands) and mobile electron equivalents (small particles functionalized with a low number of DNA strands complementary to the programmable atom equivalents). Under appropriate conditions, the spatial distribution of the electron equivalents breaks the symmetry of isotropic programmable atom equivalents, akin to the anisotropic distribution of valence electrons or coordination sites around a metal atom, leading to a set of well-defined coordination geometries and access to three new low-symmetry crystalline phases. All three phases represent the first examples of colloidal crystals, with two of them having elemental analogues (body-centred tetragonal and high-pressure gallium), while the third (triple double-gyroid structure) has no known natural equivalent. This approach enables the creation of complex, low-symmetry colloidal crystals that might find use in various technologies.
36 MATERIALS SCIENCE↗
Weyl semimetal in the rare-earth hexaboride family supporting a pseudonodal surface and a giant anomalous Hall effect
Rare-earth hexaborides offer a rich tapestry for exploring the interplay of topological orders, magnetism, and electron-correlation effects associated with protected quantum phenomena. Using first-principles modeling, we identify in cerium hexaboride (CeB 6 ) a topological state that harbors a pseudonodal surface (PNS) along with double-Weyl fermions. An analysis of the electronic states in the vicinity of the Fermi level reveals the presence of M z -mirror-symmetry-protected band crossings that involve itinerant (d) and localized (f) states of Ce. These band crossings are found to remain nearly gapless as one goes away from the mirror plane, driving the formation of PNS states. We also demonstrate the presence of coexisting double-Weyl fermions with chiral charges of ±2 on the C 4z rotational axis. By analyzing the Berry curvature field associated with the topological states, we predict that CeB 6 supports a giant anomalous Hall conductivity of -1840Ω -1 cm -1 in the slightly electron-doped regime, which would be larger than the values reported to date in magnetic Weyl semimetals. Our study thus indicates that CeB 6 , which combines ferromagnetic order with topological physics in a heavy-fermion matrix, would provide a promising playground for investigating topological magnetic states with giant anomalous Hall responses.
36 MATERIALS SCIENCE↗
Information Content of the Parity-Violating Asymmetry in Pb 208
The parity-violating asymmetry A PV in 208 Pb, recently measured by the PREX-2 Collaboration, is studied using modern relativistic (covariant) and nonrelativistic energy density functionals. We first assess the theoretical uncertainty on A PV which is intrinsic to the adopted approach. To this end, we use quantified functionals that are able to accommodate our previous knowledge on nuclear observables such as binding energies, charge radii, and the dipole polarizability α D of 208 Pb. We then add the quantified value of A PV together with α D to our calibration dataset to optimize new functionals. Based on these results, we predict a neutron skin thickness in 208 Pb r skin = 0.19 ± 0.02 fm and the symmetry-energy slope L = 54 ± 8 MeV. These values are consistent with other estimates based on astrophysical data and are significantly lower than those recently reported using a particular set of relativistic energy density functionals. Here, we also make a prediction for the A PV value in 48 Ca that will be soon available from the CREX measurement.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Structure constants in $ \mathcal{N} $ = 4 SYM at finite coupling as worldsheet g-function
We develop a novel nonperturbative approach to a class of three-point functions in planar $ \mathcal{N} $ N = 4 SYM based on Thermodynamic Bethe Ansatz (TBA). More specifically, we study three-point functions of a non-BPS single-trace operator and two determinant operators dual to maximal Giant Graviton D-branes in AdS 5 × S 5 . They correspond to disk one-point functions on the worldsheet and admit a simpler and more powerful integrability description than the standard single-trace three-point functions. We first introduce two new methods to efficiently compute such correlators at weak coupling; one based on large N collective fields, which provides an example of open-closed-open duality discussed by Gopakumar, and the other based on combinatorics. The results so obtained exhibit a simple determinant structure and indicate that the correlator can be interpreted as a generalization of g -functions in 2d QFT; an overlap between an integrable boundary state and a state corresponding to the single-trace operator. We then determine the boundary state at finite coupling using the symmetry, the crossing equation and the boundary Yang-Baxter equation. With the resulting boundary state, we derive the ground-state g -function based on TBA and conjecture its generalization to other states. This is the first fully nonperturbative proposal for the structure constants of operators of finite length. The results are tested extensively at weak and strong couplings. Finally, we point out that determinant operators can provide better probes of sub-AdS locality than single-trace operators and discuss possible applications.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Phonons in complex twisted crystals: Angular momenta, interactions, and topology
We report phonons and their interactions are critically important for a variety of energy-relevant applications ranging from low thermal resistance substrates to thermal barrier coatings. Fundamental insights into the nature of phonons and allowed interactions are governed by the underlying symmetries of the crystal lattice. In this paper, we provide a comprehensive and detailed description of lattice dynamics derived from twist symmetries of chiral and achiral crystals—twist dynamics. Phonon bands naturally carry quantized crystal angular momentum derived from rotational phases, which give insights into the nature of band crossings and avoided crossings, selection rules for phonon interactions, and topological band crossing behaviors. Twist dynamics is demonstrated for a variety of materials covering a range of space groups, symmetry operations, twist axis orientations, and constituent elements. Furthermore, twist symmetry offers insights into peculiar features observed in scattering measurements. In this context, we present inelastic neutron scattering measurements for rutile TiO 2 and explain them using twist dynamics.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗