scholarly journals Enhancement of the transverse thermoelectric conductivity originating from stationary points in nodal lines

2020 ◽  
Vol 102 (20) ◽  
Author(s):  
Susumu Minami ◽  
Fumiyuki Ishii ◽  
Motoaki Hirayama ◽  
Takuya Nomoto ◽  
Takashi Koretsune ◽  
...  
Keyword(s):  
Stationary Points ◽  
Nodal Lines

scholarly journals Group-theoretic insights on the vibration of symmetric structures in engineering

2014 ◽  
Vol 372 (2008) ◽  
pp. 20120037 ◽  
Author(s):  
Alphose Zingoni
Keyword(s):  
Group Theory ◽  
Large Scale ◽  
Computational Effort ◽  
Stationary Points ◽  
Nodal Lines ◽  
Modes Of Vibration ◽  
Vibration Problems ◽  
Symmetric Structures ◽  
Bifurcation And Stability ◽  
Main Attraction

Group theory has been used to study various problems in physics and chemistry for many years. Relatively recently, applications have emerged in engineering, where problems of the vibration, bifurcation and stability of systems exhibiting symmetry have been studied. From an engineering perspective, the main attraction of group-theoretic methods has been their potential to reduce computational effort in the analysis of large-scale problems. In this paper, we focus on vibration problems in structural mechanics and reveal some of the insights and qualitative benefits that group theory affords. These include an appreciation of all the possible symmetries of modes of vibration, the prediction of the number of modes of a given symmetry type, the identification of modes associated with the same frequencies, the prediction of nodal lines and stationary points of a vibrating system, and the untangling of clustered frequencies.

scholarly journals Dirac nodal lines protected against spin-orbit interaction in IrO2

2019 ◽  
Vol 3 (6) ◽  
Author(s):  
J. N. Nelson ◽  
J. P. Ruf ◽  
Y. Lee ◽  
C. Zeledon ◽  
J. K. Kawasaki ◽  
...  
Keyword(s):  
Orbit Interaction ◽  
Spin Orbit ◽  
Spin Orbit Interaction ◽  
Nodal Lines

scholarly journals Direct Kinetic Measurements and Master Equation Modelling of the Unimolecular Decomposition of Resonantly-Stabilized CH2CHCHC(O)OCH3 Radical and an Upper Limit Determination for CH2CHCHC(O)OCH3 + O2 Reaction

2020 ◽  
Vol 234 (7-9) ◽  
pp. 1251-1268 ◽  
Author(s):  
Satya Prakash Joshi ◽  
Prasenjit Seal ◽  
Timo Theodor Pekkanen ◽  
Raimo Sakari Timonen ◽  
Arrke J. Eskola
Keyword(s):  
Master Equation ◽  
Density Functional ◽  
Rate Coefficient ◽  
Decomposition Kinetics ◽  
Basis Sets ◽  
Stationary Points ◽  
Unimolecular Decomposition ◽  
Kinetic Measurements ◽  
Point Energy ◽  
Upper Limit

AbstractMethyl-Crotonate (MC, (E)-methylbut-2-enoate, CH3CHCHC(O)OCH3) is a potential component of surrogate fuels that aim to emulate the combustion of fatty acid methyl ester (FAME) biodiesels with significant unsaturated FAME content. MC has three allylic hydrogens that can be readily abstracted under autoignition and combustion conditions to form a resonantly-stabilized CH2CHCHC(O)OCH3 radical. In this study we have utilized photoionization mass spectrometry to investigate the O2 addition kinetics and thermal unimolecular decomposition of CH2CHCHC(O)OCH3 radical. First we determined an upper limit for the bimolecular rate coefficient of CH2CHCHC(O)OCH3 + O2 reaction at 600 K (k ≤ 7.5 × 10−17 cm3 molecule−1 s−1). Such a small rate coefficient suggest this reaction is unlikely to be important under combustion conditions and subsequent efforts were directed towards measuring thermal unimolecular decomposition kinetics of CH2CHCHC(O)OCH3 radical. These measurements were performed between 750 and 869 K temperatures at low pressures (<9 Torr) using both helium and nitrogen bath gases. The potential energy surface of the unimolecular decomposition reaction was probed at density functional (MN15/cc-pVTZ) level of theory and the electronic energies of the stationary points obtained were then refined using the DLPNO-CCSD(T) method with the cc-pVTZ and cc-pVQZ basis sets. Master equation simulations were subsequently carried out using MESMER code along the kinetically important reaction pathway. The master equation model was first optimized by fitting the zero-point energy corrected reaction barriers and the collisional energy transfer parameters $\Delta{E_{{\text{down}},\;{\text{ref}}}}$ and n to the measured rate coefficients data and then utilize the constrained model to extrapolate the decomposition kinetics to higher pressures and temperatures. Both the experimental results and the MESMER simulations show that the current experiments for the thermal unimolecular decomposition of CH2CHCHC(O)OCH3 radical are in the fall-off region. The experiments did not provide definite evidence about the primary decomposition products.

scholarly journals Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Wei Luo ◽  
Yuma Nakamura ◽  
Jinseon Park ◽  
Mina Yoon
Keyword(s):  
Tight Binding ◽  
Three Dimensional ◽  
Interlayer Coupling ◽  
First Principles Calculation ◽  
Optimization Approach ◽  
Binding Model ◽  
Nodal Lines ◽  
Weyl Semimetal ◽  
Topological Quantum ◽  
First Time

AbstractRecent experiments identified Co3Sn2S2 as the first magnetic Weyl semimetal (MWSM). Using first-principles calculation with a global optimization approach, we explore the structural stabilities and topological electronic properties of cobalt (Co)-based shandite and alloys, Co3MM’X2 (M/M’ = Ge, Sn, Pb, X = S, Se, Te), and identify stable structures with different Weyl phases. Using a tight-binding model, for the first time, we reveal that the physical origin of the nodal lines of a Co-based shandite structure is the interlayer coupling between Co atoms in different Kagome layers, while the number of Weyl points and their types are mainly governed by the interaction between Co and the metal atoms, Sn, Ge, and Pb. The Co3SnPbS2 alloy exhibits two distinguished topological phases, depending on the relative positions of the Sn and Pb atoms: a three-dimensional quantum anomalous Hall metal, and a MWSM phase with anomalous Hall conductivity (~1290 Ω−1 cm−1) that is larger than that of Co2Sn2S2. Our work reveals the physical mechanism of the origination of Weyl fermions in Co-based shandite structures and proposes topological quantum states with high thermal stability.

scholarly journals An improved holographic nodal line semimetal

2021 ◽  
Vol 2021 (5) ◽  
Author(s):  
Yan Liu ◽  
Xin-Meng Wu
Keyword(s):  
Mass Term ◽  
Nodal Line ◽  
Duality Relation ◽  
Strongly Coupled ◽  
Nodal Lines ◽  
Form Field ◽  
Improved Model ◽  
Fermionic Spectrum ◽  
Chern Simons ◽  
Tensor Operators

Abstract We study an improved holographic model for the strongly coupled nodal line semimetal which satisfies the duality relation between the rank two tensor operators $$ \overline{\psi}{\gamma}^{\mu v}\psi $$ ψ ¯ γ μv ψ and $$ \overline{\psi}{\gamma}^{\mu v}{\gamma}^5\psi $$ ψ ¯ γ μv γ 5 ψ . We introduce a Chern-Simons term and a mass term in the bulk for a complex two form field which is dual to the above tensor operators and the duality relation is automatically satisfied from holography. We find that there exists a quantum phase transition from a topological nodal line semimetal phase to a trivial phase. In the topological phase, there exist multiple nodal lines in the fermionic spectrum which are topologically nontrivial. The bulk geometries are different from the previous model without the duality constraint, while the resulting properties are qualitatively similar to those in that model. This improved model provides a more natural ground to analyze transports or other properties of strongly coupled nodal line semimetals.

scholarly journals Two-dimensional Weyl points and nodal lines in pentagonal materials and their optical response

Nanoscale ◽  
2021 ◽  
Author(s):  
Sergio Bravo ◽  
M. Pacheco ◽  
V. Nuñez ◽  
J. D. Correa ◽  
Leonor Chico
Keyword(s):  
First Principles ◽  
Optical Response ◽  
Symmetry Analysis ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Nodal Lines

A symmetry analysis combined with first-principles calculations of two-dimensional pentagonal materials (PdSeTe, PdSeS, InP5 and GeBi2) based on the Cairo tiling reveal nontrivial spin textures, nodal lines and Weyl points.

scholarly journals Topological Approach to Mathematical Programs with Switching Constraints

2021 ◽  
Author(s):  
Vladimir Shikhman
Keyword(s):  
Stationary Point ◽  
Mountain Pass Theorem ◽  
Strong Stability ◽  
Complete Characterization ◽  
Stationary Points ◽  
Mathematical Programs ◽  
Linear Independence Constraint Qualification ◽  
Point Set ◽  
Stationary Level

AbstractWe study mathematical programs with switching constraints (for short, MPSC) from the topological perspective. Two basic theorems from Morse theory are proved. Outside the W-stationary point set, continuous deformation of lower level sets can be performed. However, when passing a W-stationary level, the topology of the lower level set changes via the attachment of a w-dimensional cell. The dimension w equals the W-index of the nondegenerate W-stationary point. The W-index depends on both the number of negative eigenvalues of the restricted Lagrangian’s Hessian and the number of bi-active switching constraints. As a consequence, we show the mountain pass theorem for MPSC. Additionally, we address the question if the assumption on the nondegeneracy of W-stationary points is too restrictive in the context of MPSC. It turns out that all W-stationary points are generically nondegenerate. Besides, we examine the gap between nondegeneracy and strong stability of W-stationary points. A complete characterization of strong stability for W-stationary points by means of first and second order information of the MPSC defining functions under linear independence constraint qualification is provided. In particular, no bi-active Lagrange multipliers of a strongly stable W-stationary point can vanish.

scholarly journals Symmetry-protected nodal points and nodal lines in magnetic materials

2021 ◽  
Vol 103 (24) ◽  
Author(s):  
Jian Yang ◽  
Chen Fang ◽  
Zheng-Xin Liu
Keyword(s):  
Magnetic Materials ◽  
Nodal Lines ◽  
Nodal Points ◽  
Symmetry Protected

scholarly journals Colossal anomalous Nernst effect in a correlated noncentrosymmetric kagome ferromagnet

2021 ◽  
Vol 7 (13) ◽  
pp. eabf1467
Author(s):  
T. Asaba ◽  
V. Ivanov ◽  
S. M. Thomas ◽  
S. Y. Savrasov ◽  
J. D. Thompson ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Electronic Structure ◽  
Theoretical Calculations ◽  
Zero Magnetic Field ◽  
Nernst Effect ◽  
Nodal Lines ◽  
Transverse Response ◽  
Narrow Bands ◽  
Strong Spin ◽  
Anomalous Nernst Effect

The transverse voltage generated by a temperature gradient in a perpendicularly applied magnetic field, termed the Nernst effect, has promise for thermoelectric applications and for probing electronic structure. In magnetic materials, an anomalous Nernst effect (ANE) is possible in a zero magnetic field. We report a colossal ANE in the ferromagnetic metal UCo0.8Ru0.2Al, reaching 23 microvolts per kelvin. Uranium’s 5f electrons provide strong electronic correlations that lead to narrow bands, a known route to producing a large thermoelectric response. In addition, uranium’s strong spin-orbit coupling produces an intrinsic transverse response in this material due to the Berry curvature associated with the relativistic electronic structure. Theoretical calculations show that in UCo0.8Ru0.2Al at least 148 Weyl nodes, and two nodal lines, exist within 60 millielectron volt of the Fermi level. This work demonstrates that magnetic actinide materials can host strong Nernst and Hall responses due to their combined correlated and topological nature.

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