Strain control of the electronic structures, magnetic states, and magnetic anisotropy of Fe doped single-layer MoS2

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F15%3A10315036" target="_blank" >RIV/00216208:11310/15:10315036 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.commatsci.2015.08.010" target="_blank" >http://dx.doi.org/10.1016/j.commatsci.2015.08.010</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.commatsci.2015.08.010" target="_blank" >10.1016/j.commatsci.2015.08.010</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Strain control of the electronic structures, magnetic states, and magnetic anisotropy of Fe doped single-layer MoS2

Popis výsledku v původním jazyce

Developing effective method to manipulate electronic structures, magnetic states of two-dimensional (2D) materials is vital to realize its application in nanoscale devices. In present work, we investigate the strain control of magnetic states and magnetic anisotropy of single Fe atom doped single-layer MoS2 (Fe-MoS2) sheet using density functional theory (DFT). When the biaxial tensile strain reaches 3.5%, the system undergoes transition of magnetic state from 2.04 mu(B) to 4 mu(B). Some excellent electronic features, such as spin-gapless semiconductor and bipolar magnetic semiconductor are induced in Fe-MoS2 system by the strain. Moreover, the magnetic anisotropy energy is sensitive to the strain. Fe-MoS2 system shows spin reorientation transition from out-of-plane to in-plane magnetization when the strain is larger than 3%. The effective approach of controlling and switching magnetism of Fe-MoS2 will broaden its application in spintronics.

Název v anglickém jazyce

Strain control of the electronic structures, magnetic states, and magnetic anisotropy of Fe doped single-layer MoS2

Popis výsledku anglicky

Developing effective method to manipulate electronic structures, magnetic states of two-dimensional (2D) materials is vital to realize its application in nanoscale devices. In present work, we investigate the strain control of magnetic states and magnetic anisotropy of single Fe atom doped single-layer MoS2 (Fe-MoS2) sheet using density functional theory (DFT). When the biaxial tensile strain reaches 3.5%, the system undergoes transition of magnetic state from 2.04 mu(B) to 4 mu(B). Some excellent electronic features, such as spin-gapless semiconductor and bipolar magnetic semiconductor are induced in Fe-MoS2 system by the strain. Moreover, the magnetic anisotropy energy is sensitive to the strain. Fe-MoS2 system shows spin reorientation transition from out-of-plane to in-plane magnetization when the strain is larger than 3%. The effective approach of controlling and switching magnetism of Fe-MoS2 will broaden its application in spintronics.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

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

Název periodika

Computational Materials Science

ISSN

0927-0256

e-ISSN

—

Svazek periodika

110

Číslo periodika v rámci svazku

neuveden

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

7

Strana od-do

102-108

Kód UT WoS článku

000362010800013

EID výsledku v databázi Scopus

2-s2.0-84951925886