Naslov
Indiene - a new monolayer material

Autori
Lukačević, Igor ; Gupta, Sanjeev K. ; Sonvane, Yogesh ; Singh, Deobrat

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
18th International Workshop on computational Physics and Materials Science : Total Energy and Force Methods : Book of Abstracts / Narasimhan, Shobhana ; Reining, Lucia ; Peressi, Maria - Trst : ICTP, 2017, P61-P61

Skup
18th International Workshop on computational Physics and Materials Science : Total Energy and Force Methods

Mjesto i datum
Trst, Italija, 12.01.2017. - 14.01.2017

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
indium, monolayers, density functional theory, stability, electronic band structure

Sažetak
One atom thick monolayer nanostructures consisting of group III, IV and V elements are drawing ever more attention for their extraordinary electronic properties. Through first principles calculations, we systematically investigate structural and electronic properties of the corresponding indium monolayers in three different allotropic forms: planar, puckered and buckled. Our study shows that planar and buckled allotropes are stable and show metallic and semiconducting behaviour, respectively. Their stability and electronic properties cannot be easily correlated to those of similar elemental monolayer structures. Van Hove singularity is observed in the electronic density of states which could lead to an increase in the electronic conductivity, opening paths to new electronic applications. Strain engineering is applied in order to determine the changes in the electronic behaviour and band gap properties. Planar allotrope remains metallic under both compressive and tensile strain, while buckled allotrope changes from an indirect semiconductor to a metal. Our study demonstrates that the indiene nanostructures possess diverse electronic properties, tunable by strain engineering, which have potential applications in nanoelectronics and for nanodevices.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA