scholarly journals The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

2020 ◽  
Author(s):  
Panayiota Antoniou ◽  
Figen Suchanek ◽  
James F. Varner ◽  
Jonathan Foley
Keyword(s):  
Degrees Of Freedom ◽  
Surface Hopping ◽  
Strongly Coupled ◽  
Trans Isomerization ◽  
Dissipation Rates ◽  
Molecule Interaction

<p>We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate to large photon dissipation rates. These findings highlight the important role that the finite</p><p>lifetime of photonic degrees of freedom play in polaritonic chemistry.</p>

scholarly journals The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

2020 ◽  
Author(s):  
Panayiota Antoniou ◽  
Figen Suchanek ◽  
James F. Varner ◽  
Jonathan Foley
Keyword(s):  
Degrees Of Freedom ◽  
Surface Hopping ◽  
Strongly Coupled ◽  
Trans Isomerization ◽  
Dissipation Rates ◽  
Molecule Interaction

<p>We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate dissipation rates, and that cavity-free isomerization dynamics are recovered under large dissipation rates. These findings highlight the important role that the finite</p><p>lifetime of photonic degrees of freedom play in polaritonic chemistry.</p>

The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

2020 ◽  
Author(s):  
Panayiota Antoniou ◽  
Figen Suchanek ◽  
James F. Varner ◽  
Jonathan Foley
Keyword(s):  
Degrees Of Freedom ◽  
Surface Hopping ◽  
Strongly Coupled ◽  
Trans Isomerization ◽  
Dissipation Rates ◽  
Molecule Interaction

<p>We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate to large photon dissipation rates. These findings highlight the important role that the finite</p><p>lifetime of photonic degrees of freedom play in polaritonic chemistry.</p>

scholarly journals The Role of Cavity Losses in Polaritonic Chemistry

2020 ◽  
Author(s):  
Panayiota Antoniou ◽  
Figen Suchanek ◽  
James F. Varner ◽  
Jonathan Foley
Keyword(s):  
Degrees Of Freedom ◽  
Surface Hopping ◽  
Strongly Coupled ◽  
Trans Isomerization ◽  
Dissipation Rates ◽  
Molecule Interaction

<p>We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate the cis-trans isomerization can be dramatically modified by the inclusion of the photonic dissipation into the polaritonic Hamiltonian. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization rates are strongly suppressed for moderate to large photon dissipation rates. These findings highlight the important role that the nite lifetime of photonic degrees of freedom play in polaritonic chemistry.</p>

scholarly journals The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

2020 ◽  
Author(s):  
Panayiota Antoniou ◽  
Figen Suchanek ◽  
James F. Varner ◽  
Jonathan Foley
Keyword(s):  
Degrees Of Freedom ◽  
Surface Hopping ◽  
Strongly Coupled ◽  
Trans Isomerization ◽  
Dissipation Rates ◽  
Molecule Interaction

<p>We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate dissipation rates, and that cavity-free isomerization dynamics are recovered under large dissipation rates. These findings highlight the important role that the finite</p><p>lifetime of photonic degrees of freedom play in polaritonic chemistry.</p>

On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations

2019 ◽  
Author(s):  
Riccardo Spezia ◽  
Hichem Dammak
Keyword(s):  
Degrees Of Freedom ◽  
Molecular Simulations ◽  
Zero Point ◽  
Thermal Bath ◽  
Unimolecular Dissociation ◽  
Point Energy ◽  
Rotational Degrees Of Freedom ◽  
The Difference ◽  
Nuclear Effects

<div> <div> <div> <p>In the present work we have investigated the possibility of using the Quantum Thermal Bath (QTB) method in molecular simulations of unimolecular dissociation processes. Notably, QTB is aimed in introducing quantum nuclear effects with a com- putational time which is basically the same as in newtonian simulations. At this end we have considered the model fragmentation of CH4 for which an analytical function is present in the literature. Moreover, based on the same model a microcanonical algorithm which monitor zero-point energy of products, and eventually modifies tra- jectories, was recently proposed. We have thus compared classical and quantum rate constant with these different models. QTB seems to correctly reproduce some quantum features, in particular the difference between classical and quantum activation energies, making it a promising method to study unimolecular fragmentation of much complex systems with molecular simulations. The role of QTB thermostat on rotational degrees of freedom is also analyzed and discussed. </p> </div> </div> </div>

scholarly journals Dzyaloshinskii–Moriya interaction in noncentrosymmetric superlattices

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Woo Seung Ham ◽  
Abdul-Muizz Pradipto ◽  
Kay Yakushiji ◽  
Kwangsu Kim ◽  
Sonny H. Rhim ◽  
...  
Keyword(s):  
Heavy Metal ◽  
Degrees Of Freedom ◽  
Orbit Coupling ◽  
Inversion Symmetry ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Band Formation ◽  
Research Activities ◽  
Moriya Interaction

AbstractDzyaloshinskii–Moriya interaction (DMI) is considered as one of the most important energies for specific chiral textures such as magnetic skyrmions. The keys of generating DMI are the absence of structural inversion symmetry and exchange energy with spin–orbit coupling. Therefore, a vast majority of research activities about DMI are mainly limited to heavy metal/ferromagnet bilayer systems, only focusing on their interfaces. Here, we report an asymmetric band formation in a superlattices (SL) which arises from inversion symmetry breaking in stacking order of atomic layers, implying the role of bulk-like contribution. Such bulk DMI is more than 300% larger than simple sum of interfacial contribution. Moreover, the asymmetric band is largely affected by strong spin–orbit coupling, showing crucial role of a heavy metal even in the non-interfacial origin of DMI. Our work provides more degrees of freedom to design chiral magnets for spintronics applications.

scholarly journals Quantum information probes of charge fractionalization in large-N gauge theories

2021 ◽  
Vol 2021 (5) ◽  
Author(s):  
Brandon S. DiNunno ◽  
Niko Jokela ◽  
Juan F. Pedraza ◽  
Arttu Pönni
Keyword(s):  
Degrees Of Freedom ◽  
Gauge Theories ◽  
Entanglement Entropy ◽  
Coarse Grained ◽  
Strongly Coupled ◽  
Information Theoretic ◽  
Large N ◽  
Wide Range ◽  
Charge Fractionalization ◽  
Electric Flux

Abstract We study in detail various information theoretic quantities with the intent of distinguishing between different charged sectors in fractionalized states of large-N gauge theories. For concreteness, we focus on a simple holographic (2 + 1)-dimensional strongly coupled electron fluid whose charged states organize themselves into fractionalized and coherent patterns at sufficiently low temperatures. However, we expect that our results are quite generic and applicable to a wide range of systems, including non-holographic. The probes we consider include the entanglement entropy, mutual information, entanglement of purification and the butterfly velocity. The latter turns out to be particularly useful, given the universal connection between momentum and charge diffusion in the vicinity of a black hole horizon. The RT surfaces used to compute the above quantities, though, are largely insensitive to the electric flux in the bulk. To address this deficiency, we propose a generalized entanglement functional that is motivated through the Iyer-Wald formalism, applied to a gravity theory coupled to a U(1) gauge field. We argue that this functional gives rise to a coarse grained measure of entanglement in the boundary theory which is obtained by tracing over (part) of the fractionalized and cohesive charge degrees of freedom. Based on the above, we construct a candidate for an entropic c-function that accounts for the existence of bulk charges. We explore some of its general properties and their significance, and discuss how it can be used to efficiently account for charged degrees of freedom across different energy scales.

scholarly journals A Superfluid Perspective on Neutron Star Dynamics

Universe ◽  
2021 ◽  
Vol 7 (1) ◽  
pp. 17
Author(s):  
Nils Andersson
Keyword(s):  
Neutron Star ◽  
Degrees Of Freedom ◽  
Temperature Scale ◽  
Fluid System ◽  
Fluid Core ◽  
State Of Matter ◽  
Entrainment Effect ◽  
Neutron Component ◽  
The Impact

As mature neutron stars are cold (on the relevant temperature scale), one has to carefully consider the state of matter in their interior. The outer kilometre or so is expected to freeze to form an elastic crust of increasingly neutron-rich nuclei, coexisting with a superfluid neutron component, while the star’s fluid core contains a mixed superfluid/superconductor. The dynamics of the star depend heavily on the parameters associated with the different phases. The presence of superfluidity brings new degrees of freedom—in essence we are dealing with a complex multi-fluid system—and additional features: bulk rotation is supported by a dense array of quantised vortices, which introduce dissipation via mutual friction, and the motion of the superfluid is affected by the so-called entrainment effect. This brief survey provides an introduction to—along with a commentary on our current understanding of—these dynamical aspects, paying particular attention to the role of entrainment, and outlines the impact of superfluidity on neutron-star seismology.

scholarly journals Higher spins from exotic dualisations

2021 ◽  
Vol 2021 (3) ◽  
Author(s):  
Nicolas Boulanger ◽  
Victor Lekeu
Keyword(s):  
Infinite Number ◽  
Arbitrary Number ◽  
Degrees Of Freedom ◽  
Young Tableaux ◽  
Spacetime Dimension ◽  
Massless Field ◽  
Free Level ◽  
Higher Spins

Abstract At the free level, a given massless field can be described by an infinite number of different potentials related to each other by dualities. In terms of Young tableaux, dualities replace any number of columns of height hi by columns of height D − 2 − hi, where D is the spacetime dimension: in particular, applying this operation to empty columns gives rise to potentials containing an arbitrary number of groups of D − 2 extra antisymmetric indices. Using the method of parent actions, action principles including these potentials, but also extra fields, can be derived from the usual ones. In this paper, we revisit this off-shell duality and clarify the counting of degrees of freedom and the role of the extra fields. Among others, we consider the examples of the double dual graviton in D = 5 and two cases, one topological and one dynamical, of exotic dualities leading to spin three fields in D = 3.

scholarly journals A chiral switchable photovoltaic ferroelectric 1D perovskite

2020 ◽  
Vol 6 (9) ◽  
pp. eaay4213 ◽  
Author(s):  
Yang Hu ◽  
Fred Florio ◽  
Zhizhong Chen ◽  
W. Adam Phelan ◽  
Maxime A. Siegler ◽  
...  
Keyword(s):  
Electric Fields ◽  
Mirror Symmetry ◽  
Degrees Of Freedom ◽  
Electrical Measurements ◽  
Temperature Dependent ◽  
Paraelectric Phase Transition ◽  
Strongly Coupled ◽  
Yield Phenomena ◽  
Hybrid Perovskite ◽  
Low Dimensional

Spin and valley degrees of freedom in materials without inversion symmetry promise previously unknown device functionalities, such as spin-valleytronics. Control of material symmetry with electric fields (ferroelectricity), while breaking additional symmetries, including mirror symmetry, could yield phenomena where chirality, spin, valley, and crystal potential are strongly coupled. Here we report the synthesis of a halide perovskite semiconductor that is simultaneously photoferroelectricity switchable and chiral. Spectroscopic and structural analysis, and first-principles calculations, determine the material to be a previously unknown low-dimensional hybrid perovskite (R)-(−)-1-cyclohexylethylammonium/(S)-(+)-1 cyclohexylethylammonium) PbI3. Optical and electrical measurements characterize its semiconducting, ferroelectric, switchable pyroelectricity and switchable photoferroelectric properties. Temperature dependent structural, dielectric and transport measurements reveal a ferroelectric-paraelectric phase transition. Circular dichroism spectroscopy confirms its chirality. The development of a material with such a combination of these properties will facilitate the exploration of phenomena such as electric field and chiral enantiomer–dependent Rashba-Dresselhaus splitting and circular photogalvanic effects.

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