Related papers: Bilayer B80 Structure: High Stability and Experime…
We investigate topological properties of Bi$_{1-x}$Sb$_{x}$ bilayers in the (111) plane using entanglement measures. Electronic structures are studied using multi-orbital tight-binding model, with structural stability confirmed through…
As the electronic charge distribution in a wide quantum well is tuned from a single-layer through an interacting bilayer configuration to weakly-coupled parallel layers, we observe an insulating phase concurrently manifesting a dramatic…
We study correlation effects and excitations in a dipolar Bose gas bilayer which is modeled by a one-dimensional double well trap that determines the width of an individual layer, the distance between the two layers, and the height of the…
We have investigated the electronic structure of charged bilayer and trilayer phoshporene using first-principles, density-functional-theory calculations. We find that the effective dielectric constant for an external electric field applied…
Recent observations of beating signals in the excitation energy transfer dynamics of photosynthetic complexes have been interpreted as evidence for sustained coherences that are sufficiently long-lived for energy transport and coherence to…
Research on two-dimensional van der Waals materials has demonstrated that the layer degree of freedom can significantly alter the physical properties of materials due to the substantial modification of bulk bands. Inspired by this concept,…
We investigate the stability of electron-hole superfluidity in two-dimensional bilayers with unequal and anisotropic effective masses. Using a zero-temperature, self-consistent Hartree-Fock approach, we study two experimentally relevant…
Using the hybrid exchange-correlation functional within the density-functional theory, we have systematically investigated the structural and electronic properties of MO (M = Be, Mg, Ca, Sr, Ba, Zn, Cd) in binary rocksalt (B1), zincblende…
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties. Yet, developments beyond the proof-of-principle level are impeded by the vast…
Endohedrally doped Si20 fullerenes appear as appealing building blocks for nanoscale materials. We investigate their structural stability with an unbiased and systematic global geometry optimization method within density-functional theory.…
Antimony shows promise as a two-dimensional (2D) mono-elemental crystal, referred to as antimonene. When exposed to ambient conditions, antimonene layers react with oxygen, forming new crystal structures, leading significant changes in…
The elastic properties of two-component bilayer membranes are studied using a coarse grain model for amphiphilic molecules. The two species of amphiphiles considered here differ only in their length. Molecular Dynamics simulations are…
We describe a technique to fabricate closely spaced electron-hole bilayers in GaAs-AlGaAs heterostructures. Our technique incorporates a novel method for making shallow contacts to a low density ($<10^{11}cm^{-2}$) 2-dimensional electron…
We investigate the instabilities of interacting electrons on the honeycomb bilayer by means of the functional renormalization group for a range of interactions up to the third-nearest neighbor. Besides a novel instability toward a gapless…
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied in Metropolis Monte Carlo simulations, within the framework…
Because substitutions of BH4- anion with Br can stabilize the hexagonal structure of the LiBH4 at room temperature, leading to a high Li-ion conductivity, its thermodynamic stability has been investigated in this work. The binary LiBH4-LiBr…
The electronic structure and thermodynamic stability of tetragonal $\rm{BiFeO_3}$(001) surfaces have been investigated using density functional theory. In this work, four different structures having different lattice constants with two…
The process of self-morphing in curved surfaces found in nature, such as with the growth of flowers and leaves, has generated interest in the study of self-morphing bilayers, which has been used in many soft robots or switchers. However,…
The liquid structure of a glass-forming binary alloy is studied using molecular dynamics simulations. The analysis combines common neighbour analysis with the geometrical approach of Frank and Kasper to establish that the supercooled liquid…
We study the structural and electronic properties of phase III of solid hydrogen using accurate many-electron theories and compare to state-of-the-art experimental findings. The atomic structures of phase III modelled by C2/c-24 crystals…