Local electronic structure of doping defects on Tl/Si(111)1x1

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F19%3A10389485" target="_blank" >RIV/00216208:11320/19:10389485 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=sZpKWmcu0-" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=sZpKWmcu0-</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41598-018-37361-5" target="_blank" >10.1038/s41598-018-37361-5</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Local electronic structure of doping defects on Tl/Si(111)1x1

Popis výsledku v původním jazyce

The Tl/Si(111)1 x 1 surface is a representative of a 2D layer with Rashba-type spin-split electronic bands. To utilize the spin polarization, doping of the system should be understood on atomic level. We present a study of two types of atomic defects predicted to dope the considered electronic system - Si-induced vacancies and defects associated with the presence of extra Tl atoms. Structural calculations based on density functional theory (DFT) confirm the stability of the proposed defect structure consisting of an extra Si atom and missing seven Tl atoms as proposed in an earlier experimental study. The calculated spatial charge distributions indicate an enhancement of the charge around the extra Si atom, which correctly reproduces topographies of the corresponding scanning tunneling microscopy images while the calculated local densities of states of this system explain obtained scanning tunneling spectra. The DFT structural calculations let us determine the atomic structure of the defect caused by the presence of an extra Tl atom. The calculated spatial charge distributions show a ring-like feature around the extra Tl atom. The obtained results indicate a charge transfer from the central extra Tl atom to its vicinity in the agreement with earlier photoemission measurements.

Název v anglickém jazyce

Local electronic structure of doping defects on Tl/Si(111)1x1

Popis výsledku anglicky

The Tl/Si(111)1 x 1 surface is a representative of a 2D layer with Rashba-type spin-split electronic bands. To utilize the spin polarization, doping of the system should be understood on atomic level. We present a study of two types of atomic defects predicted to dope the considered electronic system - Si-induced vacancies and defects associated with the presence of extra Tl atoms. Structural calculations based on density functional theory (DFT) confirm the stability of the proposed defect structure consisting of an extra Si atom and missing seven Tl atoms as proposed in an earlier experimental study. The calculated spatial charge distributions indicate an enhancement of the charge around the extra Si atom, which correctly reproduces topographies of the corresponding scanning tunneling microscopy images while the calculated local densities of states of this system explain obtained scanning tunneling spectra. The DFT structural calculations let us determine the atomic structure of the defect caused by the presence of an extra Tl atom. The calculated spatial charge distributions show a ring-like feature around the extra Tl atom. The obtained results indicate a charge transfer from the central extra Tl atom to its vicinity in the agreement with earlier photoemission measurements.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10305 - Fluids and plasma physics (including surface physics)

Projekt

<a href="/cs/project/GA16-15802S" target="_blank" >GA16-15802S: Samo-uspořádané molekulární struktury na površích křemíku modifikovaných kovy</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Scientific Reports

ISSN

2045-2322

e-ISSN

—

Svazek periodika

9

Číslo periodika v rámci svazku

Jan

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

779

Kód UT WoS článku

000456826200008

EID výsledku v databázi Scopus

2-s2.0-85060605440