Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principles

Weyl semimetals are materials with topologically nontrivial band structures both in the bulk and on the surface, hosting chiral nodes which are sinks and sources of Berry curvature. Weyl semimetals have been predicted and recently measured to exhibit large nonlinear optical responses. This discovery...

Full description

Bibliographic Details
Main Authors: Christina A. C. Garcia, Jennifer Coulter, Prineha Narang
Format: Article
Language:English
Published: American Physical Society 2020-01-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.2.013073
_version_ 1797211629505478656
author Christina A. C. Garcia
Jennifer Coulter
Prineha Narang
author_facet Christina A. C. Garcia
Jennifer Coulter
Prineha Narang
author_sort Christina A. C. Garcia
collection DOAJ
description Weyl semimetals are materials with topologically nontrivial band structures both in the bulk and on the surface, hosting chiral nodes which are sinks and sources of Berry curvature. Weyl semimetals have been predicted and recently measured to exhibit large nonlinear optical responses. This discovery, along with their high mobilities, makes Weyl semimetals relevant to a broad spectrum of applications in optoelectronic, nanophotonic, and quantum optical devices. Although there is growing interest in understanding and characterizing the linear and nonlinear behaviors of Weyl semimetals, an ab initio calculation of the linear optical and optoelectronic responses at finite temperature remains largely unexplored. Here, we specifically address the temperature dependence of the linear optical response in type-I Weyl semimetals TaAs and NbAs. We evaluate, from first principles, the scattering lifetimes due to electron-phonon and electron-electron interactions and incorporate these lifetimes in evaluating an experimentally relevant frequency-, polarization-, and temperature-dependent complex dielectric function for each semimetal. From these calculations, we present linear optical conductivity predictions which agree well where experiment exists (for TaAs) and guide the way for future measurements of type-I Weyl semimetals. Importantly, we also examine the optical conductivity's dependence on the chemical potential, a crucial physical parameter which can be controlled experimentally and can elucidate the role of the Weyl nodes in optoelectronic response. Throughout this paper, we present design principles for Weyl optoelectronic devices that use photogenerated carriers in type-I Weyl semimetals.
first_indexed 2024-04-24T10:29:32Z
format Article
id doaj.art-c6eca30ccc824549ae0a07d5c001488f
institution Directory Open Access Journal
issn 2643-1564
language English
last_indexed 2024-04-24T10:29:32Z
publishDate 2020-01-01
publisher American Physical Society
record_format Article
series Physical Review Research
spelling doaj.art-c6eca30ccc824549ae0a07d5c001488f2024-04-12T16:49:01ZengAmerican Physical SocietyPhysical Review Research2643-15642020-01-012101307310.1103/PhysRevResearch.2.013073Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principlesChristina A. C. GarciaJennifer CoulterPrineha NarangWeyl semimetals are materials with topologically nontrivial band structures both in the bulk and on the surface, hosting chiral nodes which are sinks and sources of Berry curvature. Weyl semimetals have been predicted and recently measured to exhibit large nonlinear optical responses. This discovery, along with their high mobilities, makes Weyl semimetals relevant to a broad spectrum of applications in optoelectronic, nanophotonic, and quantum optical devices. Although there is growing interest in understanding and characterizing the linear and nonlinear behaviors of Weyl semimetals, an ab initio calculation of the linear optical and optoelectronic responses at finite temperature remains largely unexplored. Here, we specifically address the temperature dependence of the linear optical response in type-I Weyl semimetals TaAs and NbAs. We evaluate, from first principles, the scattering lifetimes due to electron-phonon and electron-electron interactions and incorporate these lifetimes in evaluating an experimentally relevant frequency-, polarization-, and temperature-dependent complex dielectric function for each semimetal. From these calculations, we present linear optical conductivity predictions which agree well where experiment exists (for TaAs) and guide the way for future measurements of type-I Weyl semimetals. Importantly, we also examine the optical conductivity's dependence on the chemical potential, a crucial physical parameter which can be controlled experimentally and can elucidate the role of the Weyl nodes in optoelectronic response. Throughout this paper, we present design principles for Weyl optoelectronic devices that use photogenerated carriers in type-I Weyl semimetals.http://doi.org/10.1103/PhysRevResearch.2.013073
spellingShingle Christina A. C. Garcia
Jennifer Coulter
Prineha Narang
Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principles
Physical Review Research
title Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principles
title_full Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principles
title_fullStr Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principles
title_full_unstemmed Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principles
title_short Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principles
title_sort optoelectronic response of the type i weyl semimetals taas and nbas from first principles
url http://doi.org/10.1103/PhysRevResearch.2.013073
work_keys_str_mv AT christinaacgarcia optoelectronicresponseofthetypeiweylsemimetalstaasandnbasfromfirstprinciples
AT jennifercoulter optoelectronicresponseofthetypeiweylsemimetalstaasandnbasfromfirstprinciples
AT prinehanarang optoelectronicresponseofthetypeiweylsemimetalstaasandnbasfromfirstprinciples