Designing Flexible Quantum Spin Hall Insulators through 2D Ordered Hybrid Transition-Metal Carbides

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F19%3A10242872" target="_blank" >RIV/61989100:27740/19:10242872 - isvavai.cz</a>

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.9b05962#" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.9b05962#</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.9b05962" target="_blank" >10.1021/acs.jpcc.9b05962</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Designing Flexible Quantum Spin Hall Insulators through 2D Ordered Hybrid Transition-Metal Carbides

Popis výsledku v původním jazyce

Quantum spin Hall (QSH) insulators have attracted much attention due to their potential applications ranging from electronic devices to quantum computing. In general, a large band gap is regarded as a critical descriptor in the design of QSH insulators; however, it faces challenges when additional factors such as strain and surface oxidation are involved in practical applications. In this work, taking M &apos;&apos; M-2&apos;C2O2 (M&apos; = Ti, Zr, Hf; M &apos;&apos; = Mo, W) as a representative, results reveal that 2D ordered transition-metal carbides (MXenes) are promising candidates for flexible spintronic devices, which is ascribed to the mechanical flexibility and robust QSH states under strain. Although a large bulk band gap is shown in M &apos;&apos; 2HfC2O2, a strain-induced topological phase transition may limit its flexible application. On the contrary, M &apos;&apos; 2TiC2O2 has a smaller,gap, and its topological nontrivial state survives under strain. When n changes from 0 to 4 in M &apos;&apos; 2TinCn+1O2, a topologically nontrivial-trivial phase transition is observed in W2HfnCn+1O2, whereas a topologically nontrivial state remains in Mo2TinCn+1O2. After further screening a variety of promising coatings, it is found that fluorographene may effectively preserve the topologically nontrivial nature of M &apos;&apos; M-2&apos;C2O2 with surface oxidation resistance, even under strain, providing a feasible application of M &apos;&apos; M-2&apos;C2O2 as flexible QSH insulators.

Název v anglickém jazyce

Designing Flexible Quantum Spin Hall Insulators through 2D Ordered Hybrid Transition-Metal Carbides

Popis výsledku anglicky

Quantum spin Hall (QSH) insulators have attracted much attention due to their potential applications ranging from electronic devices to quantum computing. In general, a large band gap is regarded as a critical descriptor in the design of QSH insulators; however, it faces challenges when additional factors such as strain and surface oxidation are involved in practical applications. In this work, taking M &apos;&apos; M-2&apos;C2O2 (M&apos; = Ti, Zr, Hf; M &apos;&apos; = Mo, W) as a representative, results reveal that 2D ordered transition-metal carbides (MXenes) are promising candidates for flexible spintronic devices, which is ascribed to the mechanical flexibility and robust QSH states under strain. Although a large bulk band gap is shown in M &apos;&apos; 2HfC2O2, a strain-induced topological phase transition may limit its flexible application. On the contrary, M &apos;&apos; 2TiC2O2 has a smaller,gap, and its topological nontrivial state survives under strain. When n changes from 0 to 4 in M &apos;&apos; 2TinCn+1O2, a topologically nontrivial-trivial phase transition is observed in W2HfnCn+1O2, whereas a topologically nontrivial state remains in Mo2TinCn+1O2. After further screening a variety of promising coatings, it is found that fluorographene may effectively preserve the topologically nontrivial nature of M &apos;&apos; M-2&apos;C2O2 with surface oxidation resistance, even under strain, providing a feasible application of M &apos;&apos; M-2&apos;C2O2 as flexible QSH insulators.

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)

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

—

Svazek periodika

123

Číslo periodika v rámci svazku

33

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

20664-20674

Kód UT WoS článku

000482545700064

EID výsledku v databázi Scopus

—