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1. Observation of momentum-dependent charge density wave gap in a layered antiferromagnet GdTe3

   https://doi.org/10.1038/s41598-023-44851-8  

   Regmi, Sabin ; Bin Elius, Iftakhar ; Sakhya, Anup Pradhan ; Jeff, Dylan ; Sprague, Milo ; Mondal, Mazharul Islam ; Jarrett, Damani ; Valadez, Nathan ; Agosto, Alexis ; Romanova, Tetiana ; et al ( December 2023 , Scientific Reports)

   Charge density wave (CDW) ordering has been an important topic of study for a long time owing to its connection with other exotic phases such as superconductivity and magnetism. The$$R{\textrm{Te}}_{3}$$$R{\text{Te}}_3$(R= rare-earth elements) family of materials provides a fertile ground to study the dynamics of CDW in van der Waals layered materials, and the presence of magnetism in these materials allows to explore the interplay among CDW and long range magnetic ordering. Here, we have carried out a high-resolution angle-resolved photoemission spectroscopy (ARPES) study of a CDW material$${\textrm{Gd}}{\textrm{Te}}_{3}$$$\text{Gd}{\text{Te}}_3$, which is antiferromagnetic below$$\sim \mathrm {12~K}$$$\sim 12K$, along with thermodynamic, electrical transport, magnetic, and Raman measurements. Our ARPES data show a two-fold symmetric Fermi surface with both gapped and ungapped regions indicative of the partial nesting. The gap is momentum dependent, maximum along$${\overline{\Gamma }}-\mathrm{\overline{Z}}$$$\overline{\Gamma }-\overline{Z}$and gradually decreases going towards$${\overline{\Gamma }}-\mathrm{\overline{X}}$$$\overline{\Gamma }-\overline{X}$. Our study provides a platform to study the dynamics of CDW and its interaction with other physical orders in two- and three-dimensions.

    

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2. Magnetic field-tuned Fermi liquid in a Kondo insulator

   https://doi.org/10.1038/s41467-019-13421-w  

   Kushwaha, Satya K. ; Chan, Mun K. ; Park, Joonbum ; Thomas, S. M. ; Bauer, Eric D. ; Thompson, J. D. ; Ronning, F. ; Rosa, Priscila F. S. ; Harrison, Neil ( December 2019 , Nature Communications)

   Kondo insulators are expected to transform into metals under a sufficiently strong magnetic field. The closure of the insulating gap stems from the coupling of a magnetic field to the electron spin, yet the required strength of the magnetic field–typically of order 100 T–means that very little is known about this insulator-metal transition. Here we show that Ce$${}_{3}$$${}_3$Bi$${}_{4}$$${}_4$Pd$${}_{3}$$${}_3$, owing to its fortuitously small gap, provides an ideal Kondo insulator for this investigation. A metallic Fermi liquid state is established above a critical magnetic field of only$${B}_{{\rm{c}}}\approx$$$B_c\approx$11 T. A peak in the strength of electronic correlations near$${B}_{{\rm{c}}}$$$B_c$, which is evident in transport and susceptibility measurements, suggests that Ce$${}_{3}$$${}_3$Bi$${}_{4}$$${}_4$Pd$${}_{3}$$${}_3$may exhibit quantum criticality analogous to that reported in Kondo insulators under pressure. Metamagnetism and the breakdown of the Kondo coupling are also discussed.

    

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3. Local structure elucidation of tungsten-substituted vanadium dioxide (V$$_{1-x}$$W$$_x$$O$$_2$$)

   https://doi.org/10.1038/s41598-022-18575-0  

   Wilson, Catrina E. ; Gibson, Amanda E. ; Cuillier, Paul M. ; Li, Cheng-Han ; Crosby, Patrice H. N. ; Trigg, Edward B. ; Najmr, Stan ; Murray, Christopher B. ; Jinschek, Joerg R. ; Doan-Nguyen, Vicky ( August 2022 , Scientific Reports)

   Initially, vanadium dioxide seems to be an ideal first-order phase transition case study due to its deceptively simple structure and composition, but upon closer inspection there are nuances to the driving mechanism of the metal-insulator transition (MIT) that are still unexplained. In this study, a local structure analysis across a bulk powder tungsten-substitution series is utilized to tease out the nuances of this first-order phase transition. A comparison of the average structure to the local structure using synchrotron x-ray diffraction and total scattering pair-distribution function methods, respectively, is discussed as well as comparison to bright field transmission electron microscopy imaging through a similar temperature-series as the local structure characterization. Extended x-ray absorption fine structure fitting of thin film data across the substitution-series is also presented and compared to bulk. Machine learning technique, non-negative matrix factorization, is applied to analyze the total scattering data. The bulk MIT is probed through magnetic susceptibility as well as differential scanning calorimetry. The findings indicate the local transition temperature ($$T_c$$$T_c$) is less than the average$$T_c$$$T_c$supporting the Peierls-Mott MIT mechanism, and demonstrate that in bulk powder and thin-films, increasing tungsten-substitution instigates local V-oxidation through the phase pathway VO$$_2\, \rightarrow$$${}_2\to$V$$_6$$${}_6$O$$_{13} \, \rightarrow$$${}_{13}\to$V$$_2$$${}_2$O$$_5$$${}_5$.

    

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4. Hot-carrier dynamics in InAs/AlAsSb multiple-quantum wells

   https://doi.org/10.1038/s41598-021-89815-y  

   Piyathilaka, Herath P. ; Sooriyagoda, Rishmali ; Esmaielpour, Hamidreza ; Whiteside, Vincent R. ; Mishima, Tetsuya D. ; Santos, Michael B. ; Sellers, Ian R. ; Bristow, Alan D. ( May 2021 , Scientific Reports)

   A type-II InAs/AlAs$$_{0.16}$$${}_{0.16}$Sb$$_{0.84}$$${}_{0.84}$multiple-quantum well sample is investigated for the photoexcited carrier dynamics as a function of excitation photon energy and lattice temperature. Time-resolved measurements are performed using a near-infrared pump pulse, with photon energies near to and above the band gap, probed with a terahertz probe pulse. The transient terahertz absorption is characterized by a multi-rise, multi-decay function that captures long-lived decay times and a metastable state for an excess-photon energy of$$>100$$$>100$meV. For sufficient excess-photon energy, excitation of the metastable state is followed by a transition to the long-lived states. Excitation dependence of the long-lived states map onto a nearly-direct band gap ($$E{_g}$$$E{}_g$) density of states with an Urbach tail below$$E{_g}$$$E{}_g$. As temperature increases, the long-lived decay times increase$$$<E{}_g$, due to the increased phonon interaction of the unintentional defect states, and by phonon stabilization of the hot carriers$$>E{_g}$$$>E{}_g$. Additionally, Auger (and/or trap-assisted Auger) scattering above the onset of the plateau may also contribute to longer hot-carrier lifetimes. Meanwhile, the initial decay component shows strong dependence on excitation energy and temperature, reflecting the complicated initial transfer of energy between valence-band and defect states, indicating methods to further prolong hot carriers for technological applications.

    

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5. Evidence of a liquid–liquid phase transition in H$$_2$$O and D$$_2$$O from path-integral molecular dynamics simulations

   https://doi.org/10.1038/s41598-022-09525-x  

   Eltareb, Ali ; Lopez, Gustavo E. ; Giovambattista, Nicolas ( April 2022 , Scientific Reports)

   We perform path-integral molecular dynamics (PIMD), ring-polymer MD (RPMD), and classical MD simulations of H$$_2$$${}_2$O and D$$_2$$${}_2$O using the q-TIP4P/F water model over a wide range of temperatures and pressures. The density$$\rho (T)$$$\rho \left(T\right)$, isothermal compressibility$$\kappa _T(T)$$${\kappa }_T\left(T\right)$, and self-diffusion coefficientsD(T) of H$$_2$$${}_2$O and D$$_2$$${}_2$O are in excellent agreement with available experimental data; the isobaric heat capacity$$C_P(T)$$$C_P\left(T\right)$obtained from PIMD and MD simulations agree qualitatively well with the experiments. Some of these thermodynamic properties exhibit anomalous maxima upon isobaric cooling, consistent with recent experiments and with the possibility that H$$_2$$${}_2$O and D$$_2$$${}_2$O exhibit a liquid-liquid critical point (LLCP) at low temperatures and positive pressures. The data from PIMD/MD for H$$_2$$${}_2$O and D$$_2$$${}_2$O can be fitted remarkably well using the Two-State-Equation-of-State (TSEOS). Using the TSEOS, we estimate that the LLCP for q-TIP4P/F H$$_2$$${}_2$O, from PIMD simulations, is located at$$P_c = 167 \pm 9$$$P_c=167\pm 9$ MPa,$$T_c = 159 \pm 6$$$T_c=159\pm 6$ K, and$$\rho _c = 1.02 \pm 0.01$$${\rho }_c=1.02\pm 0.01$ g/cm$$^3$$${}^3$. Isotope substitution effects are important; the LLCP location in q-TIP4P/F D$$_2$$${}_2$O is estimated to be$$P_c = 176 \pm 4$$$P_c=176\pm 4$ MPa,$$T_c = 177 \pm 2$$$T_c=177\pm 2$ K, and$$\rho _c = 1.13 \pm 0.01$$${\rho }_c=1.13\pm 0.01$ g/cm$$^3$$${}^3$. Interestingly, for the water model studied, differences in the LLCP location from PIMD and MD simulations suggest that nuclear quantum effects (i.e., atoms delocalization) play an important role in the thermodynamics of water around the LLCP (from the MD simulations of q-TIP4P/F water,$$P_c = 203 \pm 4$$$P_c=203\pm 4$ MPa,$$T_c = 175 \pm 2$$$T_c=175\pm 2$ K, and$$\rho _c = 1.03 \pm 0.01$$${\rho }_c=1.03\pm 0.01$ g/cm$$^3$$${}^3$). Overall, our results strongly support the LLPT scenario to explain water anomalous behavior, independently of the fundamental differences between classical MD and PIMD techniques. The reported values of$$T_c$$$T_c$for D$$_2$$${}_2$O and, particularly, H$$_2$$${}_2$O suggest that improved water models are needed for the study of supercooled water.

    

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