相关论文: Lithium intercalation in MoS$_2$ bilayers and impl…
A real-space method using generating integers is used to classify the possible moire patterns for two equal hexagonal lattices. The result is that the rotations that take (n,m) to (m,n) with n,m relatively prime form the fundamental moire…
Strain-induced lattice mismatch leads to moir\'{e} patterns in homobilayer transition metal dichalcogenides (TMDs). We investigate the structural and electronic properties of such strained moir\'{e} patterns in TMD homobilayers. The…
Bilayer moir\'e structures have attracted significant attention recently due to their spatially modulated layer degrees of freedom. However, the layer-dependent transport mechanism in the moir\'e structures is still a problem to be…
Moir\'e superlattices - periodic orbital overlaps and lattice-reconstruction between sites of high atomic registry in vertically-stacked 2D layered materials - are quantum-active interfaces where non-trivial quantum phases on novel…
The recent surge of interest in moir\'e superlattices of twisted van der Waals compounds has spotlighted the emergence of unconventional superconductivity and novel electronic phases. However, the range of moir\'e phenomena can be…
We introduce a generalizable, physics informed strategy for generating training data that enables a machine learning force field accurate over a broad range of twist angles and stacking layer numbers in moire systems. Applying this to…
Hybridisation of electronic bands of two-dimensional materials, assembled into twistronic heterostructures, enables one to tune their optoelectronic properties by selecting conditions for resonant interlayer hybridisation. Resonant…
We investigated the interlayer coupling effect in homobilayer structures of MSi2X4 with M = Mo/W and X = N/P/As. Through the combination of first-principles calculations and analytical formulations, the equilibrium interlayer distance,…
Van der Waals (vdW) heterostructures formed by 2D atomic crystals provide a powerful approach towards designer condensed matter systems. Incommensurate heterobilayers with small twisting and/or lattice mismatch lead to the interesting…
When semiconducting transition metal dichalcogenides heterostructures are stacked the twist angle and lattice mismatch leads to a periodic moir\'e potential. As the angle between the layers changes, so do the electronic properties. As the…
We theoretically investigate the possibility of achieving a superconducting state in transition-metal dichalcogenide bilayers through intercalation, a process previously and widely used to achieve metallization and superconducting states in…
Two-dimensional altermagnets exhibit exceptional potential for low-power spintronics via nonrelativistic spin splitting and zero net magnetization. Here, we systematically investigate the influence of interlayer interactions on the…
This work presents a first-principles study of the optoelectronic properties of vertically-stacked bilayer heterostructures composed of 2D transition-metal dichalcogenides (TMDs). The calculations are performed using the density-functional…
Piezoelectricity appears in the inversion asymmetric crystal that converts mechanical deformational force to electricity. Two-dimensional transition metal dichalcolgenide (TMDC) monolayers exhibit the piezoelectric effect due to the…
In this work, we reveal a curious type of moir\'e effect that selectively modifies the surface states of bulk crystal. We synthesize mixed-dimensional heterostructures consisting of a noble gas monolayer grow on the surface of bulk Bi(111),…
We derive the boundary conditions for MoS$_2$ and similar transition-metal dichalcogenide honeycomb (2H polytype) monolayers with the same type of $\mathbf{k}\!\cdot\!\mathbf{p}$ Hamiltonian within the continuum model around the K points.…
The moir\'e pattern induced by lattice mismatch in transition-metal dichalcogenide heterobilayers causes the formation of flat bands, where interactions dominate the kinetic energy. At fractional fillings of the flat valence band, the…
Twisted bilayer systems host a wealth of emergent phenomena, such as flat-band superconductivity, ferromagnetism, and ferroelectricity, arising from moir\'e superlattices and unconventional interlayer coupling. Despite their central role,…
Moir\'e superlattices created by the twisted stacking of two-dimensional crystalline monolayers can host electronic bands with flat energy dispersion in which interaction among electrons is strongly enhanced. These superlattices can also…
Two-dimensional (2D) semiconducting transition metal dichalcogenides such as MoS$_2$ have attracted extensive research interests for potential applications in optoelectronics, spintronics, photovoltaics, and catalysis. To harness the…