Exploring the nontrivial band edge in the bulk of the topological insulators Bi2Se3 and Bi2Te3

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10491018" target="_blank" >RIV/00216208:11320/24:10491018 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=a72~YDXluj" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=a72~YDXluj</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevResearch.6.013214" target="_blank" >10.1103/PhysRevResearch.6.013214</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Exploring the nontrivial band edge in the bulk of the topological insulators Bi2Se3 and Bi2Te3

Popis výsledku v původním jazyce

Bi2Se3 and related compounds are prototype three-dimensional topological insulators with a single Dirac cone in the surface band structure. While the topological surface states can be characterized with surface-sensitive methods, the underlying bulk energy band inversion has not been investigated in detail. Here, a study is presented that combines density-functional theory and nuclear magnetic resonance to explore the nontrivial band edge of Bi2Se3 and Bi2Te3. It is found that the topological band inversion is not a discrete reversal of the order of the valence and conduction band at the I&apos; point. Rather, the bands closest to the Fermi level become well mixed and spread evenly below and above the band gap, such that the characters of the valence- and conduction-band edges become indistinguishable. Beside those bands relevant for the band inversion, i.e., Bi and Se pz, also Bi px and py states are involved. As a part of this mixture of states, the band inversion shows no edges in k space.

Název v anglickém jazyce

Exploring the nontrivial band edge in the bulk of the topological insulators Bi2Se3 and Bi2Te3

Popis výsledku anglicky

Bi2Se3 and related compounds are prototype three-dimensional topological insulators with a single Dirac cone in the surface band structure. While the topological surface states can be characterized with surface-sensitive methods, the underlying bulk energy band inversion has not been investigated in detail. Here, a study is presented that combines density-functional theory and nuclear magnetic resonance to explore the nontrivial band edge of Bi2Se3 and Bi2Te3. It is found that the topological band inversion is not a discrete reversal of the order of the valence and conduction band at the I&apos; point. Rather, the bands closest to the Fermi level become well mixed and spread evenly below and above the band gap, such that the characters of the valence- and conduction-band edges become indistinguishable. Beside those bands relevant for the band inversion, i.e., Bi and Se pz, also Bi px and py states are involved. As a part of this mixture of states, the band inversion shows no edges in k space.

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

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

Physical Review Research

ISSN

2643-1564

e-ISSN

2643-1564

Svazek periodika

6

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

013214

Kód UT WoS článku

001187627700006

EID výsledku v databázi Scopus

2-s2.0-85186319550