Giant Carrier Mobility in a Room-Temperature Ferromagnetic VSi2N4 Monolayer.
Nano Lett
; 24(21): 6403-6409, 2024 May 29.
Article
em En
| MEDLINE
| ID: mdl-38767304
ABSTRACT
Using density functional theory (DFT), we investigate that two possible phases of VSi2N4 (VSN) may be realized, one called the "H phase" corresponding to what is known from calculation and herein the other new "T phase" being stabilized by a biaxial tensile strain of 3%. Significantly, the H phase is predicted to display a giant carrier mobility of 1 × 106 cm2 V-1 s-1, which exceeds that for most 2D magnetic materials, with a Curie temperature (TC) exceeding room temperature and a band gap of 2.01 eV at the K point. Following the H-T phase transition, the direct band gap shifts to the Γ point and increases to 2.59 eV. The Monte Carlo (MC) simulations also indicate that TC of the T phase VSN can be effectively modulated by strain, reaching room temperature under a biaxial strain of -4%. These results show that VSN should be a promising functional material for future nanoelectronics.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Nano Lett
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Nano lett
/
Nano letters
Ano de publicação:
2024
Tipo de documento:
Article
País de publicação:
Estados Unidos