Coulomb drag in electron-hole bilayer: Mass-asymmetry and exchange correlation effects

2018 ◽  
Author(s):  
Priya Arora ◽  
Gurvinder Singh ◽  
R. K. Moudgil
Keyword(s):  
Correlation Effects ◽  
Electron Hole ◽  
Coulomb Drag ◽  
Exchange Correlation ◽  
Mass Asymmetry

scholarly journals Effect of quasiparticle excitations and exchange-correlation in Coulomb drag in graphene

2019 ◽  
Vol 2 (1) ◽  
Author(s):  
Rajveer Fandan ◽  
Jorge Pedrós ◽  
Francisco Guinea ◽  
Alberto Boscá ◽  
Fernando Calle
Keyword(s):  
Room Temperature ◽  
Correlation Effects ◽  
Many Body ◽  
Phonon Modes ◽  
Coulomb Drag ◽  
Exchange Correlation ◽  
Layer Graphene ◽  
Maximum Value ◽  
Zero Layer ◽  
Exchange And Correlation

AbstractCoulomb drag in double layer graphene systems separated by an h-BN interlayer allows probing of the electron-electron interactions in the effective limit of zero layer separation. Although these interactions can be influenced by plasmons, phonons and exchange and correlation effects, these excitations have never been studied altogether, missing the effects of their coupling on the drag physics. Here we study theoretically the effects of these quasiparticles and their coupling, including also the effects of the electronic exchange and correlation, and demonstrate that the drag resistivity can attain a maximum value at room temperature and beyond, where hybridized plasmon-phonon modes contribute significantly. In particular, the hybridization of the plasmons with the hyperbolic phonons of h-BN, confined within the reststrahlen bands, enhance the drag resistivity. This study paves the way for the exploration of novel many-body physics phenomena in systems coupled through emerging 2D hyperbolic materials.

scholarly journals Application of time-dependent current-density-functional theory to nonlocal exchange-correlation effects in polymers

2003 ◽  
Vol 118 (3) ◽  
pp. 1044-1053 ◽  
Author(s):  
M. van Faassen ◽  
P. L. de Boeij ◽  
R. van Leeuwen ◽  
J. A. Berger ◽  
J. G. Snijders
Keyword(s):  
Density Functional Theory ◽  
Current Density ◽  
Density Functional ◽  
Time Dependent ◽  
Correlation Effects ◽  
Functional Theory ◽  
Exchange Correlation

On the role of steric and exchange–correlation effects in halogenated complexes

2021 ◽  
Author(s):  
Mojtaba Alipour ◽  
Parisa Fallahzadeh
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Energy Partitioning ◽  
Correlation Effects ◽  
Functional Theory ◽  
Exchange Correlation

Density functional theory formalisms of energy partitioning schemes are utilized to find out what energetic components govern interactions in halogenated complexes.

Revisiting Local Electric Fields on Close-Packed Metal Surfaces: Theory Versus Experiments

2007 ◽  
Vol 128 ◽  
pp. 219-224 ◽  
Author(s):  
P.P. Kostrobiy ◽  
Bogdan M. Markovych ◽  
Yuri Suchorski
Keyword(s):  
Electron Density ◽  
Electric Fields ◽  
Metal Surfaces ◽  
Integration Method ◽  
Functional Integration ◽  
Correlation Effects ◽  
Flat Surfaces ◽  
Exchange Correlation ◽  
Density Distributions ◽  
Theory Versus

An external electrostatic field of the order of a few tens of a volt per nanometer causes significant changes in the electron density distribution near a metal surface. Because of differing electronic distributions and varying responses of electrons to the applied field for various metals, the resulting local field distribution in the close vicinity of the surface should depend on the electronic properties of the particular metal, even for flat surfaces. Field-free and field-modified electron density distributions for different metal surfaces were calculated using the functional integration method. This approach enables the exchange-correlation effects to be correctly considered and makes it possible to account for the proper field-effect for broad field ranges without using the perturbation theory. The results of calculations are compared with the field-ion microscopic observations.

scholarly journals TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations

2019 ◽  
Author(s):  
Felix Plasser
Keyword(s):  
Excited State ◽  
Conjugated Polymer ◽  
Predictive Power ◽  
Transition Metal Complex ◽  
Automated Analysis ◽  
Automated Assignment ◽  
Correlation Effects ◽  
Electron Hole ◽  
Repetitive Tasks ◽  
Electronic Structure Methods

<p>The advent of ever more powerful excited-state electronic structure methods has lead to a tremendous increase in the predictive power of computation but it has also rendered the analysis of these computations more and more challenging and time-consuming. TheoDORE tackles this problem through providing tools for post-processing excited-state computations, which automate repetitive tasks and provide rigorous and reproducible descriptors. Interfaces are available for ten different quantum chemistry codes and a range of excited-state methods implemented therein. This article provides an overview of three popular functionalities within TheoDORE, a fragment-based analysis for assigning state character, the computation of exciton sizes for measuring charge transfer, and the natural transition orbitals used not only for visualisation but also for quantifying multiconfigurational character. Using the examples of an organic push-pull chromophore and a transition metal complex, it is shown how these tools can be used for a rigorous and automated assignment of excited-state character. In the case of a conjugated polymer, we venture beyond the limits of the traditional molecular orbital picture to uncover spatial correlation effects using electron-hole correlation plots and conditional densities.</p>

scholarly journals Ferromagnetism of LaCoO$_3$ films

2020 ◽  
Vol 8 (6) ◽  
Author(s):  
Andrii Sotnikov ◽  
Kyo-Hoon Ahn ◽  
Jan Kuneš
Keyword(s):  
Atomic State ◽  
Correlation Effects ◽  
Electron Hole ◽  
Magnetic Exchange ◽  
Microscopic Inhomogeneity ◽  
Intermediate Spin ◽  
Spin Excitations ◽  
Electron Correlation Effects ◽  
Magnetic Couplings ◽  
Ferromagnetic Ordering

We study ferromagnetic ordering and microscopic inhomogeneity in tensile strained LaCoO_33 using numerical simulations. We argue that both phenomena originate from effective superexchange interactions between atoms in the high-spin (HS) state mediated by the intermediate-spin excitations. We derive a model of the HS excitation as a bare atomic state dressed by electron and electron-hole fluctuations on the neighbor atoms. We construct a series of approximations to account for electron correlation effects responsible for HS fluctuations and magnetic exchange. The obtained amplitudes and directional dependence of magnetic couplings between the “dressed” HS states show a qualitative agreement with experimental observations and provide a new physical picture of LaCoO_33 films.

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