Giant Linear and Nonlinear Excitonic Responses in an Atomically Thin Indirect Semiconductor Nitrogen Phosphide NP

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F21%3AA22029Q9" target="_blank" >RIV/61988987:17310/21:A22029Q9 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1021/acs.jpcc.1c02091" target="_blank" >https://doi.org/10.1021/acs.jpcc.1c02091</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.1c02091" target="_blank" >10.1021/acs.jpcc.1c02091</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Giant Linear and Nonlinear Excitonic Responses in an Atomically Thin Indirect Semiconductor Nitrogen Phosphide NP

Popis výsledku v původním jazyce

Large linear and nonlinear optical responses can be obtained from two-dimensional semiconductors with an indirect electronic gap. Here we demonstrate exceptionally large exciton-driven responses such as the fundamental exciton binding energy (2 eV), zero-point band-gap renormalization (200 meV), and nonlinear second and third harmonic coefficients (800 pm/V and 1.4x10^{-18} m^2/V^2 respectively) from an atomically thin binary group-V NP semiconductor. The influence of lattice vibrations on the absorption spectra unfolds strong electronic couplings to both LA and ZO-TO phonon modes. All the linear process analyses were computed using a fully ab-initio based G0W0+Bethe-Salpeter equation approach that also includes the electron-phonon self-energies. The nonlinear processes were instead obtained using a real-time ab-initio process flow after creating a coupling between the time-dependent external electric field and the correlated electrons within the modern theory of polarization and the same electron-hole interaction level.

Název v anglickém jazyce

Giant Linear and Nonlinear Excitonic Responses in an Atomically Thin Indirect Semiconductor Nitrogen Phosphide NP

Popis výsledku anglicky

Large linear and nonlinear optical responses can be obtained from two-dimensional semiconductors with an indirect electronic gap. Here we demonstrate exceptionally large exciton-driven responses such as the fundamental exciton binding energy (2 eV), zero-point band-gap renormalization (200 meV), and nonlinear second and third harmonic coefficients (800 pm/V and 1.4x10^{-18} m^2/V^2 respectively) from an atomically thin binary group-V NP semiconductor. The influence of lattice vibrations on the absorption spectra unfolds strong electronic couplings to both LA and ZO-TO phonon modes. All the linear process analyses were computed using a fully ab-initio based G0W0+Bethe-Salpeter equation approach that also includes the electron-phonon self-energies. The nonlinear processes were instead obtained using a real-time ab-initio process flow after creating a coupling between the time-dependent external electric field and the correlated electrons within the modern theory of polarization and the same electron-hole interaction level.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

J PHYS CHEM C

ISSN

1932-7447

e-ISSN

1932-7455

Svazek periodika

125

Číslo periodika v rámci svazku

33

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

20

Strana od-do

12738-12757

Kód UT WoS článku

000664312500029

EID výsledku v databázi Scopus

2-s2.0-85108535696