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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Atomic-Scale Andreev Probe of Unconventional Superconductivity

Recent emergence of low-dimensional unconventional superconductors and their exotic interface properties calls for new approaches to probe the pairing symmetry, a fundamental and frequently elusive property of the superconducting condensate. Here, we introduce the unique capability of tunneling Andreev reflection (TAR) to probe unconventional pairing symmetry, utilizing the sensitivity of this technique to specific Andreev reflections. Specifically, suppression of the lowest-order Andreev reflection due to quantum interference but emergence of the higher-order Andreev processes provides direct evidence of the sign-changing order parameter in the paradigmatic FeSe superconductor. Furthermore, TAR spectroscopy also reveals two superconducting gaps, points to a possibility of a nodal gap structure, and directly confirms that superconductivity is locally suppressed along the nematic twin boundary, with preferential and near-complete suppression of the larger energy gap. Furthermore, our findings therefore enable new, atomic-scale insight into microscopic, inhomogeneous, and interfacial properties of emerging quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Nematic transition and nanoscale suppression of superconductivity in Fe(Te,Se)

The interplay of different electronic phases underlies the physics of unconventional superconductors. One of the most intriguing examples is a high-temperature superconductor, FeTe 1 – x Se x . This superconductor undergoes both a topological transition, linked to the electronic band inversion, and an electronic nematic phase transition, associated with rotation symmetry breaking, around the same Se composition where the superconducting transition temperature peaks. In this regime, nematic fluctuations and symmetry-breaking strain could be important, but this is yet to be fully explored. Using spectroscopic-imaging scanning tunnelling microscopy, we study the electronic nematic transition in FeTe 1 – x Se x as a function of composition. Near the critical Se composition, we find electronic nematicity in nanoscale regions. The superconducting coherence peaks are suppressed in areas where static nematic order is the strongest. By analysing atomic displacement in scanning tunnelling microscopy topographs, we find that small anisotropic strain can give rise to these strongly nematic localized regions. Furthermore, our experiments reveal a tendency of FeTe 1 – x Se x , near x ≈ 0.45, to form puddles hosting static nematic order, suggestive of nematic fluctuations pinned by structural inhomogeneity, and demonstrate the effect of anisotropic strain on superconductivity in this regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Pressure Induced Topological Quantum Phase Transition in Weyl Semimetal T d -MoTe 2

In this paper, we report the temperature and pressure (p max ≃1.5 GPa) evolution of the crystal structure of the Weyl semimetal T d -MoTe 2 by combination of neutron diffraction and the X-ray total scattering experiments. We find that the fundamental non-centrosymmetric structure T d is fully suppressed and transforms into a centrosymmertic 1T' structure at a critical pressure of p cr ~ 1.2–1.4 GPa. This is strong evidence for a pressure induced quantum phase transition (QPT) between topological to a trivial electronic state. Although the topological QPT has strong effect on magnetoresistance, it is interesting that the superconducting (SC) critical temperature T c , the superfluid density, and the SC gap all change smoothly and continuously across p cr and no sudden effects are seen concomitantly with the suppression of the T d structure. This implies that the T c , and thus the SC pairing strength, is unaffected by the topological QPT. However, the QPT requires the change in the SC gap symmetry from non-trivial s +- to a trivial s ++ state, which we discuss in this work. Our systematic characterizations of the structure and SC properties associated with the topological QPT provide deep insight into the pressure induced phase diagram in this topological quantum material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electronic and magnetic phase diagrams of the Kitaev quantum spin liquid candidate Na 2 Co 2 TeO 6

The 3⁢d 7 Co 2+ -based insulating magnet Na 2 ⁢Co 2 ⁢TeO 6 has recently been reported to have strong Kitaev interactions on a honeycomb lattice and is thus being considered as a Kitaev quandum spin liquid candidate. However, due to the existence of other types of interactions, a spontaneous long-range magnetic order occurs. This order is suppressed by applied magnetic fields leading to a succession of phases and ultimately saturation of the magnetic moments. The precise phase diagram, the nature of the phases, and the possibility that one of the field-induced phases is a Kitaev quantum spin liquid phase are still a matter of debate. Here, in this study, we measured an extensive set of physical properties to build the complete temperature-field phase diagrams to magnetic saturation at 10 T for magnetic fields along the a and a* axes, and a partial phase diagram up to 60 T along c. We probe the phases using magnetization, specific heat, magnetocaloric effect, magnetostriction, dielectric constant, and electric polarization, which is a symmetry-sensitive probe. With these measurements, we identify all the previously incomplete phase boundaries and find additional high-field phase boundaries. We find strong magnetoelectric coupling in the dielectric constant and moderate magnetostrictive coupling at several phase boundaries. Furthermore, we detect the symmetry of the magnetic order using electrical polarization measurements under magnetic fields. Based on our analysis, the absence of electric polarization under zero or finite magnetic field in any of the phases or after any combination of magnetic/electric field cooling suggests that a zigzag spin structure is more likely than a triple-Q spin structure at zero field. Finally, we investigate the hysteresis and first- or second-order nature of each phase transition and its entropy changes. With this information, we establish a map of the magnetic phases of this compound and its magnetic, thermodynamic, and magnetoelectric properties, and discuss where spin liquid or other phases may be sought in future studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Multiple ferroic orders and toroidal magnetoelectricity in the chiral magnet BaCoSiO 4

Discovering ferroic phase transitions and their consequential physical properties is at the core of condensed matter science due to rich physics and tremendous technological promises. BaCoSiO 4 , a chiral antiferromagnet, belongs to the tetrahedron-based chiral system, and exhibits diverse ferroic orders with coexisting chirality, polarity, trimerization, ferrorotational distortions, and magnetism. However, their mutual couplings remain to be explored. Here in this work, we used a comprehensive combination of several experimental tools—in situ x-ray, transmission electron microscopy, magnetization, and magnetoelectric measurements of single-crystalline BaCoSiO 4 —to investigate hierarchical phase transitions, their microscopic domain structures, and the resulting magnetoelectricity. We found that two different structural chiralities develop through distinct processes: global homochirality and local heterochirality induced by the ferrorotational distortions on top of existing polarization. In addition, magnetic chirality, with the simultaneous presence of net magnetic moment and magnetic toroidal moment, develops below 3.2 K due to the global chirality, which leads to magnetic field tunable toroidal magnetoelectricity. Thus, BaCoSiO 4 exhibits uniquely all four types of ferroic orders and provides an avenue to explore, for example, tunable or dynamic coupling of multiple ferroic degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Frustrated spin-1/2 dimer compound K 2 Co 2 ( Se O 3 ) 3 with easy-axis anisotropy

Magnetic susceptibility, magnetization, and specific-heat measurements under both in-plane and out-of-plane field on K 2 Co 2 (SeO 3 ) 3 single crystals are reported. The Co dimers in this compound, which are made from face-sharing effective spin-1/2 CoO 6 octahedra, sit on the corners of a geometrically frustrating triangular planar lattice. No long-range magnetic ordering is found down to 0.35 K, which, together with the large negative Curie-Weiss temperature obtained from fitting the temperature-dependent magnetic susceptibility, indicates that the system is magnetically frustrated. Analysis of the field and orientation dependence of the magnetic and thermodynamic properties suggests the presence of an easy-axis anisotropy. Furthermore, the magnetic fluctuations present due to geometric frustration are more resistant to an in-plane field than a perpendicular-to-plane field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Computational design of quantum defects in two-dimensional materials

We report missing atoms or atom substitutions (point defects) in crystal lattices in two-dimensional (2D) materials are potential hosts for emerging quantum technologies, such as single-photon emitters and spin quantum bits (qubits). First-principles-guided design of quantum defects in 2D materials is paving the way for rational spin qubit discovery. Here we discuss the frontier of first-principles theory development and the challenges in predicting the critical physical properties of point defects in 2D materials for quantum information technology, in particular for optoelectronic and spin-optotronic properties. Strong many-body interactions at reduced dimensionality require advanced electronic structure methods beyond mean-field theory. The great challenges for developing theoretical methods that are appropriate for strongly correlated defect states, as well as general approaches for predicting spin relaxation and the decoherence time of spin defects, are yet to be addressed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Deep learning of interface structures from simulated 4D STEM data: cation intermixing vs. roughening ∗

Abstract Interface structures in complex oxides remain an active area of condensed matter physics research, largely enabled by recent advances in scanning transmission electron microscopy (STEM). Yet the nature of the STEM contrast in which the structure is projected along the given direction precludes separation of possible structural models. Here, we utilize deep convolutional neural networks (DCNN) trained on simulated 4D STEM datasets to predict structural descriptors of interfaces. We focus on the widely studied interface between LaAlO 3 and SrTiO 3 , using dynamical diffraction theory and leveraging high performance computing to simulate thousands of possible 4D STEM datasets to train the DCNN to learn properties of the underlying structures on which the simulations are based. We test the DCNN on simulated data and show that it is possible (with >95% accuracy) to identify a physically rough from a chemically diffuse interface and create a DCNN regression model to predict step positions. We quantify the applicability of the model to different thicknesses and the transferability of the approach. The method shown here is general and can be applied for any inverse imaging problem where forward models are present.

42 ENGINEERING↗
DOE OSTI2023

Controlling electric and magnetic Purcell effects in phosphorene via strain engineering

Here, we investigate the spontaneous emission lifetime of a quantum emitter near a substrate coated with phosphorene under the influence of uniaxial strain. We consider both electric dipole and magnetic dipole-mediated spontaneous transitions from the excited to the ground state. The modeling of phosphorene is performed by employing a tight-binding model that goes beyond the usual low energy description. We demonstrate that both electric and magnetic decay rates can be strongly tuned by the application of uniform strain, ranging from a near-total suppression of the Purcell effect to a remarkable enhancement of more than 1300% due to the high flexibility associated with the puckered lattice structure of phosphorene. We also unveil the use of strain as a mechanism to tailor the most probable decay pathways of the emitted quanta. Our results show that uniaxially strained phosphorene is an efficient and versatile material platform for the active control of light-matter interactions thanks to its extraordinary optomechanical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

First-principles study of an S = 1 quasi one-dimensional quantum molecular magnetic material

We use density functional theory to study the structural, magnetic, and electronic structures of the organometallic quantum magnet NiCl 2-4 SC (NH 2 ) 2 (DTN). Recent work has demonstrated the quasi one-dimensional nature of the molecular crystal and studied its quantum phase transitions at low temperatures. The system includes a magnetoelectric (ME) coupling and, when doped with Br, the presence of an exotic Bose-glass state. Using the generalized gradient approximation with inclusion of a van der Waals term to account for weak intermolecular forces and by introducing a Hubbard U term to the total energy, we systematically show that our calculations reproduce the magnetic anisotropy, the intermolecular exchange coupling strength, and the magnetoelectric effect in DTN, which have been observed in previous experiments. Further analysis of the electronic structure gives insight into the underlying magnetic interactions, including what mechanisms may be causing the ME effect. Using this computationally efficient model, we predict what effect applying an electric field might have on the magnetic properties of this quantum magnet.

1-dimensional spin chains↗
DOE OSTI2020

Interfacial Magnetic Skyrmions and Proximity Effects

The goal of this project is to study the fundamental physics of the magnetic skyrmion, an emergent topological spin texture with whirlpool-like spin winding configuration. Distinguishing functionality of the skyrmion can be achieved only when its exotic topological properties are fully understood and control of skyrmions is mastered. In this project, special attention is paid to creation and manipulation of interfacial skyrmions, and skyrmions in confined or hybrid structures. Relevant topics on interfacial magnetism in general are also covered. This project also promotes the skyrmion physics in national laboratories through partnership with the Argonne National Laboratory (ANL).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Less Common Topological Phenomena in Bulk Materials

"Prediction and subsequent discovery of topological insulators is considered to be one of the main results in condensed matter physics in the last decades. Not surprisingly, it has received major attention of both researchers and funding agencies. This attention is well-deserved; yet, one cannot but note that nearly all this research revolves about essentially the same concept: electronic excitations with linear dispersion, covering, of course, such diverse and intriguing phenomena as topological insulator, bulk Dirac states (or Weyl, if not spin degenerate), Mayorana fermions. In this project, we will address, mainly, other topological phenomena, such as topologically nontrivial magnetic patterns (as, for instance, topological Hall and related phenomena). Specifically, we propose three interrelated trusts: (1) Time-reversal symmetry breaking nonrelativistic antiferromagnets, called altermagnets. These are materials that break Kramers degeneracy of electronic bands, despite having zero net magnetization by symmetry and being fully collinear, and not necessarily non-centrosymmetric. The corresponding band structure is very similar to the band structure in non-centrosymmetric spin-orbital materials, but materials that we propose to study are distinctly different, first and foremost in the sense that despite sharing many aspects of their electronic properties with the latter, they break the time-reversal symmetry without either spin-orbit coupling or lack of inversion symmetry. (2) Topologically nontrivial magnetic spirals. The PI has been engaged with the experimental group of Dr. Ghimire at GMU investigating Dirac materials with helical magnetism, based on stacked magnetic Kagome layers, with a generic formula of RMn6Sn6. In particular, Y Mn6Sn6 demonstrates a component of the Hall effect that is naturally interpreted in terms of a topological spin texture, as well as linear magnetoresistance. Our calculation identify Dirac states that are robust with respect to the spiral formation, and let us derive an advance mean-field model explaining the observed phase diagram. This model predicted four distinct phases, with very distinct properties, which have now been seen in neutron experiments. The same compound is known to demonstrate topological Hall effect in a particular magnetic phase, and only at elevated temperature. Based on our understanding of the phase diagram, we have worked out a phenomenological theory of a chiral (skyrmionic) response to an external magnetic field, similar to the nematic response to external strain in Fe-based superconductors, which is possible in a centrosymmetric lattice and without interplanar Dzyaloshinskii-Moriya interaction. This phenomenological theory agrees quantitatively with the experiment. It is in our plans to research other similar materials for this effect. (3) Search for 3D analogues of Fe-based superconductors. We want to investigate materials that can be viewed as 3D analogues of FeSe. Specifically, we want materials that are good metals and host antiferromagnetism, which can be suppressed by pressure and generate an s-wave superconductivity, as in Fe-based superconductors. We have in mind some candidates already. This work will proceed in close collaboration with the experimental group of Prof. Nirmal Ghimire in the same department, whose expertise lies in sample making, magnetometry and transport measurements of materials with complex magnetic structures."

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Superior Piezo-/Ferro-Electricity in Antiferroelectric Ag x NbO 3-δ Thin Films by Nanopillar Local Structure Design

Antiferroelectrics are fundamental mother compounds critical in developing innovative lead-free piezoelectrics and ferroelectrics and hold great promise for wide-ranging applications in energy conversion and electronic devices. However, harnessing their superior properties presents a significant challenge due to the delicate balance required between their various states. Here, in this study, through the unique design of nanopillar structures to alleviate the local polar heterogeneity, we have achieved significantly improved piezo-/ferro-electricity in classic lead-free antiferroelectric Ag x NbO 3-δ (x = 1, 0.9, and 0.8) epitaxial thin films. The effective piezoelectric coefficient reaches 440 pm V –1 , 1 order of magnitude larger than the stoichiometric AgNbO 3 , rivaling classic lead zirconate titanate piezoelectrics. Atomic-scale electron microscopy investigations unravel the underlying mechanisms. The nanopillars, characterized by antisite occupancy of both Ag and Nb atoms and forming out-of-phase boundaries with the matrix, reduce the local crystal symmetry via interphase strain. This leads to the creation of flexible multinanodomain structures that significantly facilitate polarization rotation, thus substantially enhancing the piezoelectric performance. This study demonstrates the feasibility of engineering local heterogeneity through nanopillar design, offering a generally applicable method for property improvement of a wide range of antiferroelectrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Spatially inhomogeneous competition between superconductivity and the charge density wave in YBa 2 Cu 3 O 6.67

The charge density wave in the high-temperature superconductor YBa 2 Cu 3 O 7-x (YBCO) has two different ordering tendencies differentiated by their c-axis correlations. These correspond to ferro- (F-CDW) and antiferro- (AF-CDW) couplings between CDWs in neighbouring CuO 2 bilayers. This discovery has prompted several fundamental questions: how does superconductivity adjust to two competing orders and are either of these orders responsible for the electronic reconstruction? Here we use x-ray diffraction to study YBa 2 Cu 3 O 6.67 as a function of magnetic field and temperature. We show that regions with F-CDW correlations suppress superconductivity more strongly than those with AF-CDW correlations. This implies that an inhomogeneous superconducting state exists, in which some regions show a fragile form of superconductivity. By comparison of F-CDW and AF-CDW correlation lengths, it is concluded that F-CDW ordering is sufficiently long-range to modify the electronic structure. Our study thus suggests that F-CDW correlations impact both the superconducting and normal state properties of YBCO.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Automated characterization of spatial and dynamical heterogeneity in supercooled liquids via implementation of machine learning

Abstract A computational approach by an implementation of the principle component analysis (PCA) with K -means and Gaussian mixture (GM) clustering methods from machine learning algorithms to identify structural and dynamical heterogeneities of supercooled liquids is developed. In this method, a collection of the average weighted coordination numbers ( W C N s ‾ ) of particles calculated from particles’ positions are used as an order parameter to build a low-dimensional representation of feature (structural) space for K -means clustering to sort the particles in the system into few meso-states using PCA. Nano-domains or aggregated clusters are also formed in configurational (real) space from a direct mapping using associated meso-states’ particle identities with some misclassified interfacial particles. These classification uncertainties can be improved by a co-learning strategy which utilizes the probabilistic GM clustering and the information transfer between the structural space and configurational space iteratively until convergence. A final classification of meso-states in structural space and domains in configurational space are stable over long times and measured to have dynamical heterogeneities. Armed with such a classification protocol, various studies over the thermodynamic and dynamical properties of these domains indicate that the observed heterogeneity is the result of liquid–liquid phase separation after quenching to a supercooled state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Flat bands in the CoSn-type compounds

Quantum interference on the kagome lattice generates electronic bands with narrow bandwidth, called flat bands. Crystal structures incorporating this lattice can host strong electron correlations with nonstandard ingredients, but only if these bands lie at the Fermi level. In the six compounds with the CoSn structure type (FeGe, FeSn, CoSn, NiIn, RhPb, and PtTl) the transition metals form a kagome lattice. The two iron variants are robust antiferromagnets so we focus on the latter four and investigate their thermodynamic and transport properties. We consider these results and calculated band structures to locate and characterize the flat bands in these materials. Finally, we propose that CoSn and RhPb deserve the community's attention for exploring flat-band physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Anomalous Hall conductivity control in Mn 3⁢ NiN antiperovskite by epitaxial strain along the kagome plane

Antiferromagnetic manganese-based nitride antiperovskites, such as Mn 3 ⁢NiN, hold a triangular frustrated magnetic ordering, thanks to their kagome lattice formed by the Mn atoms along the (111) plane. As such, the magnetic frustration imposes a nontrivial interplay between the symmetric and asymmetric magnetic interactions, which can only reach equilibrium in a noncollinear magnetic configuration. Consequently, the associated electronic interactions and their possible tuning by external constraints, such as applied epitaxial strain, play a crucial role in defining the microscopic and macroscopic properties of such topological condensed matter systems. Here, in this paper, we explored and explained the effect of the epitaxial strain imposed within the (111) plane, in which the magnetic and crystallographic symmetry operations are kept fixed, and only the magnitude of the ionic and electronic interactions are tuned. We found a tangible enhancement in the anomalous Hall conductivity along the (111) plane ($σ^{AHE}_{111}$) for compression values, whereas, for tension, the AHC is dramatically reduced. As such, the $σ^{AHE}_{111}$ component fetches a maximum increase of 26%, with respect to the unstrained structure, for a compression value close to –1.5%. Our findings indicate a distinct correlation between the anomalous Hall conductivity and the Berry curvature along the (111) plane as a function of the strain. Finally, the nondivergent Berry curvature acts as the source and the strain as the control mechanism of this anomalous transport phenomenon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Rare Earth Engineering in R Mn 6 Sn 6 ( R = Gd–Tm, Lu) Topological Kagome Magnets

Exploration of the topological quantum materials with electron correlation is at the frontier of physics, as the strong interaction may give rise to new topological phases and transitions. Here we report that a family of kagome magnets RMn 6 Sn 6 manifest the quantum transport properties analogical to those in the quantum-limit Chern magnet TbMn 6 Sn 6 . The topological transport in the family, including quantum oscillations with nontrivial Berry phase and large anomalous Hall effect arising from Berry curvature field, points to the existence of Chern gapped Dirac fermions. Furthermore, our observation demonstrates a close relationship between rare-earth magnetism and topological electron structure, indicating the rare-earth elements can effectively engineer the Chern quantum phase in kagome magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗