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Electron-hole bound pairs, or excitons, are common excitations in semiconductors. They can spontaneously form and ``condense'' into a new insulating ground state -- the so-called excitonic insulator -- when the energy of electron-hole…

Time-dependent orbital-free DFT is an efficient method for calculating the dynamic properties of large scale quantum systems due to the low computational cost compared to standard time-dependent DFT. We formalize this method by mapping the…

Chemical Physics · Physics 2021-06-09 Kaili Jiang , Michele Pavanello

In this paper, we propose a new electrical breakdown mechanism for exciton insulators in the BCS limit, which differs fundamentally from the Zener breakdown mechanism observed in traditional band insulators. Our new mechanism results from…

Mesoscale and Nanoscale Physics · Physics 2024-07-04 Yuelin Shao , Xi Dai

Density functional theory (DFT) is one of the most widely used tools to solve the many-body Schrodinger equation. The core uncertainty inside DFT theory is the exchange-correlation (XC) functional, the exact form of which is still unknown.…

Computational Physics · Physics 2019-10-15 Alexander Ryabov , Iskander Akhatov , Petr Zhilyaev

An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed in order to deal with the time-dependent quantum transport in fully interacting systems. We use a \textit{partition-free} approach by Cini…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Gianluca Stefanucci , Carl-Olof Almbladh

The effects of the electron-phonon interaction on optical excitations can be understood in terms of exciton-phonon coupling, and require a careful treatment in low-dimensional materials with strongly bound excitons or strong electron-hole…

Materials Science · Physics 2022-02-17 Gabriel Antonius , Steven G. Louie

Motivated by the experiment of electrostatic conveyor belt for indirect excitons [A. G. Winbow, \textit{et al.}, Phys. Rev. Lett. \textbf{106}, 196806 (2011)], we study the exciton patterns for understanding the exciton dynamics. By…

Quantum Gases · Physics 2024-06-19 T. T. Zhao , Rui Li , C. S. Liu

Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints approximate time-dependent functionals, but also allows to…

Materials Science · Physics 2009-10-31 X. Gonze , M. Scheffler

An excitonic insulator phase is expected to arise from the spontaneous formation of electron-hole pairs (excitons) in semiconductors where the exciton binding energy exceeds the size of the electronic band gap. At low temperature, these…

Strongly Correlated Electrons · Physics 2022-09-02 Selene Mor , Marc Herzog , Claude Monney , Julia Stähler

Excitonic insulator is a coherent electronic phase that results from the formation of a macroscopic population of bound particle-hole pairs - excitons. With only a few candidate materials known, the collective excitonic behavior is…

Strongly Correlated Electrons · Physics 2021-05-27 Pavel A. Volkov , Mai Ye , Himanshu Lohani , Irena Feldman , Amit Kanigel , Girsh Blumberg

We show that the coupling to vibrational degrees of freedom can drive a semimetal excitonic-insulator quantum phase transition in an one-dimensional two-band f-c electron system at zero temperature. The insulating state typifies an…

Strongly Correlated Electrons · Physics 2015-06-17 N. V. Phan , K. W. Becker , H. Fehske

Real-time, time-dependent density functional theory (RT-TDDFT) has gained popularity as a first-principles approach to study a variety of excited-state phenomena such as optical excitations and electronic stopping. Within RT-TDDFT…

Materials Science · Physics 2019-07-23 Dillon C. Yost , Yi Yao , Yosuke Kanai

We present a many-body theory for Frenkel excitons which takes into account their composite nature exactly. Our approach is based on four commutators similar to the ones we previously proposed for Wannier excitons. They allow us to…

Mesoscale and Nanoscale Physics · Physics 2009-09-29 M. Combescot , W. V. Pogosov

We present a microscopic many-body theory of the recently measured two-dimensional coherent spectroscopy (2DCS) of excitons and trions in monolayer MoSe$_{2}$ materials {[}K. Hao \textit{et al.}, Nano Lett. \textbf{16}, 5109 (2016){]},…

Mesoscale and Nanoscale Physics · Physics 2024-01-18 Hui Hu , Jia Wang , Xia-Ji Liu

Long-range and fast transport of coherent excitons is important for development of high-speed excitonic circuits and quantum computing applications. However, most of these coherent excitons have only been observed in some low-dimensional…

Atomically thin transition metal dichalcogenides (TMDs) are direct-gap semiconductors with strong light-matter and Coulomb interaction. The latter accounts for tightly bound excitons, which dominate the optical properties of these…

We discuss two problems which are particularly challenging for approximations in time-dependent density functional theory (TDDFT) to capture: momentum-distributions in ionization processes, and memory-dependence in real-time dynamics. We…

Materials Science · Physics 2010-03-22 Arun K. Rajam , Paul Hessler , Christian Gaun , Neepa T. Maitra

Excitons are compound particles formed from an electron and a hole in semiconductors. The impact of this substructure on the phonon-exciton interaction is described by a closed system of microscopic scattering equations. To calculate the…

Mesoscale and Nanoscale Physics · Physics 2024-04-08 Manuel Katzer , Malte Selig , Andreas Knorr

The electronic exciton polaron is a hypothetical many-body quasiparticle formed by an exciton dressed with a polarized electron-hole cloud in the Fermi sea (FS). It is predicted to display rich many-body physics and unusual roton-like…

Mesoscale and Nanoscale Physics · Physics 2020-06-11 Erfu Liu , Jeremiah van Baren , Zhengguang Lu , Takashi Taniguchi , Kenji Watanabe , Dmitry Smirnov , Yia-Chung Chang , Chun Hung Lui

We examine the excitonic properties of layered configurations of low dimensional transition metal dichalcogenides (LTMDCs) using the fractional dimensional space approach. The binding energies of the exciton, trion and biexciton in LTMDCs…

Materials Science · Physics 2015-06-22 A. Thilagam
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