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Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) are emerging as top candidates for post-silicon electronics. While most of 2D TMDs exhibit isotropic behavior, lowering the lattice symmetry could induce…
The 2D electrons trapped in vacuum near the atomically thin dielectric (ATD, mono- or $N$-layer film of $h$-BN or transition metal dichalcogenide) are considered. ATD is suspended above the back gate and forms the capacitor which is…
Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…
Two dimensional (2D) layered materials have recently gained renewed interest due to their exotic electronic properties along with high specific surface area. The prospects of exploiting these properties in sensing, catalysis, energy…
An accurate numerical consideration is carried out of the ground state for the simplified model which is traditionally used for the description of Verwey transition and related phenomena. In the framework of 1D spinless fermion model, the…
Layered transition metal hydroxides (LTMHs) with transition metal centers sandwiched between layers of coordinating hydroxide anions have attracted considerable interest for their potential in developing clean energy sources and storage…
Ferroelectric materials with switchable electric polarization hold great promise for a plethora of emergent applications, such as post-Moore's law nanoelectronics, beyond-Boltzmann transistors, non-volatile memories, and above-bandgap…
Two-dimensional (2D) materials may exhibit intriguing band structure features (e.g., Dirac points), that lay far away from the Fermi level. They are, thus, not usable in applications. The semiconducting 2D material PC6 has two Dirac cones…
Two-dimensional electrides can acquire topologically non-trivial phases due to intriguing interplay between the cationic atomic layers and anionic electron layers. However, experimental evidence of topological surface states has yet to be…
Electrides are unique materials because of the existence of interstitial anionic electrons (IAEs). Due to these loosely bound IAEs and their strong interaction with the framework of cations, electrides can host superconductivity with rather…
Electrides have valence electrons that occupy free space in the crystal structure, making them easier to extract. This feature can be used in catalysis for important reactions that usually requires a high-temperature and high-pressure…
Two-dimensional van der Waals (vdW) materials hold the potential for ultra-scaled ferroelectric (FE) devices due to their silicon compatibility and robust polarization down to atomic scale. However, the inherently weak vdW interactions…
We conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical properties of three N-graphdiyne nanomembranes. Our DFT results of…
Transition-metal dichalcogenides (TMDs) offer an ideal platform to experimentally realize Dirac fermions. However, typically these exotic quasiparticles are located far away from the Fermi level, limiting the contribution of Dirac-like…
Using first-principles atomistic simulations, we study the response of atomically-thin layers of transition metal dichalcogenides (TMDs) - a new class of two-dimensional inorganic materials with unique electronic properties - to electron…
Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in developing nanoscale devices. Despite the prediction of the Dirac/Weyl points in a wide variety of 2D…
Two-dimensional (2D) materials for their versatile band structures and strictly 2D nature have attracted considerable attention over the past decade. Graphene is a robust material for spintronics owing to its weak spin-orbit and hyperfine…
Electronic and topological properties of materials are derived from the interplay between crystalline symmetry and dimensionality. Simultaneously introducing 'forbidden' symmetries via quasiperiodic ordering with low-dimensionality into a…
Recent advances in tuning the correlated behavior of graphene and transition-metal dichalcogenides (TMDs) have opened a new frontier in the study of many-body physics in two dimensions and promise exciting possibilities for new quantum…
Recently, two-dimensional (2D) multiferroics have attracted numerous attention due to their fascinating properties and promising applications. Although the ferroelectric (FE)-ferroelastic and ferromagnetic (FM)-ferroelastic multiferroics…