Surface-functionalization induced spintronic and photocatalytic features in group-III monochalcogenide monolayers: A first-principles study
In this paper, based on first principles calculations, we propose functionalization of group-III
monochalcogenides with halogen atoms to form Janus MXY (M= Al, Ga, In; X= Se, Te; Y= Br …
monochalcogenides with halogen atoms to form Janus MXY (M= Al, Ga, In; X= Se, Te; Y= Br …
Structural, electrical, and Rashba properties of monolayer Janus ( =P, As, Sb, and Bi)
In this paper, the structural, electrical, and spin properties of Janus Si 2 XY (X, Y= P, As, Sb,
Bi) structures are studied using first-principles calculations. Elastic constants and phonon …
Bi) structures are studied using first-principles calculations. Elastic constants and phonon …
Stability and passivation of 2D group VA elemental materials: black phosphorus and beyond
Since the successful isolation of graphene in 2004, two-dimensional (2D) materials have
become one of the focuses in material science owing to their extraordinary physical and …
become one of the focuses in material science owing to their extraordinary physical and …
Field-Effect Transistor Based on MoSi2N4 and WSi2N4 Monolayers Under Biaxial Strain: A Computational Study of the Electronic Properties
The electronic properties of a field-effect transistor with two different structures of MoSi 2 N 4
and WSi 2 N 4 monolayers as the channel material in the presence of biaxial strain are …
and WSi 2 N 4 monolayers as the channel material in the presence of biaxial strain are …
Vertical strain-induced modification of the electrical and spin properties of monolayer mosi2 x 4 (x= n, p, as and sb)
In this work, the electrical and spin properties of monolayer MoSi 2 X 4 (X= N, P, As, and Sb)
under vertical strain are investigated. The band structures show that MoSi 2 N 4 is an …
under vertical strain are investigated. The band structures show that MoSi 2 N 4 is an …
Effects of spin-orbit coupling on the electronic properties of the buckled III–V monolayers
In this work, the electronic properties of the buckled III–V monolayers are compared with and
without spin–orbit coupling, and the effects of spin–orbit coupling (SOC) on the electrical …
without spin–orbit coupling, and the effects of spin–orbit coupling (SOC) on the electrical …
Stacking-dependent Rashba spin-splitting in Janus bilayer transition metal dichalcogenides: The role of in-plane strain and out-of-plane electric field
In this paper, we have applied first-principles calculations to investigate the structural,
electronic and spintronic properties of the two-dimensional (2D) Janus bilayer transition …
electronic and spintronic properties of the two-dimensional (2D) Janus bilayer transition …
Emerging flat bands and spin polarization in nanodiamond island superlattices with varying carrier effective masses
GT Oyeniyi, IA Melchakova, DR Engelgardt… - Applied Surface …, 2024 - Elsevier
For the first time, a set of regular 2D sp 2/sp 3 hybrid superlattices of nanodiamond islands
confined between two graphene sheets (NDI-c2G) were proposed and explored using …
confined between two graphene sheets (NDI-c2G) were proposed and explored using …
Strain effects in twisted spiral antimonene
Van der Waals (vdW) layered materials exhibit fruitful novel physical properties. The energy
band of such materials depends strongly on their structures, and a tremendous variation in …
band of such materials depends strongly on their structures, and a tremendous variation in …
[HTML][HTML] Enhanced Carrier Transport Performance of Monolayer Hafnium Disulphide by Strain Engineering
YF Chung, ST Chang - Nanomaterials, 2024 - mdpi.com
For semiconducting two-dimensional transition metal dichalcogenides (TMDs), the carrier
transport properties of the material are affected by strain engineering. In this study, we …
transport properties of the material are affected by strain engineering. In this study, we …