相关论文: Truncated atomic plane wave method for the subband…
Magic-angle twisted bilayer graphene (TBG) has attracted significant interest recently due to the discoveries of diverse correlated and topological states in this system. Despite the extensive research on the electron-electron interaction…
We find exact analytic expressions for the energies and wavefunctions of the charged and neutral excitations above the exact ground states (at rational filling per unit cell) of projected Coulomb Hamiltonians in twisted bilayer graphene.…
The Bistritzer-MacDonald continuum model (BM model) describes the low-energy moir\'e bands for twisted bilayer graphene (TBG) at small twist angles. We derive a generalized continuum model for TBG near any commensurate twist angle, which is…
We present a two-step method specifically tailored for band structure calculation of the small-angle moir\'{e}-pattern materials which contain tens of thousands of atoms in a unit cell. In the first step, the self-consistent field…
We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…
A major theoretical challenge of studying twisted transition metal dichalcogenide (TMD) bilayers is that the unit cell of such structures is very large and therefore difficult to address using first-principles methods. However, twisted TMD…
The rich physics of magic angle twisted bilayer graphene (TBG) results from the Coulomb interactions of electrons in flat bands of non-trivial topology. While the bands' dispersion is well characterized, accessing their topology remains an…
The electric structure of twisted bilayer GeSe, which shows a rectangular moir\'{e} pattern, is analyzed using a $\bm{k}\cdot\bm{p}$ type effective continuum model. The effective model is constructed on the basis of the the local…
Controlling ion transport is a fundamental challenge for advanced energy storage. Bilayer graphene offers a unique platform for modulating ion diffusion via twist-angle-dependent moire superlattices, yet conventional stacking configurations…
Twisted bilayer materials have attracted tremendous attention due to their unique and novel properties. Here, we derive a thermodynamic model for twisted bilayer graphene (tBLG) within the framework of the classical statistical mechanics,…
The folding of monolayer graphene leads to new layered systems, termed twisted bilayer graphene (TBG), generally displaying a certain interlayer rotation away from crystallographic alignment. We here present an atomic force microscopy study…
Twisted bilayer graphene exhibits isolated, relatively flat electronic bands near charge neutrality when the interlayer rotation is tuned to specific magic angles. These small misalignments, typically below 1.1{\deg}, result in long-period…
We present atomistic calculations on structural and electronic properties of twisted double bilayer graphene (TDBG) consisting of two sets of rotationally misaligned Bernal-stacked bilayer graphene. Obtained equilibrium atomic structures…
Applying long wavelength periodic potentials on quantum materials has recently been demonstrated to be a promising pathway for engineering novel quantum phases of matter. Here, we utilize twisted bilayer boron nitride (BN) as a moir\'e…
Moir\'e systems featuring flat electronic bands exhibit a vast landscape of emergent exotic quantum states, making them one of the resourceful platforms in condensed matter physics in recent times. Tuning these systems via twist angle and…
We present a general method by which linear quantum Hamiltonian dynamics with exponentially many degrees of freedom is replaced by approximate classical nonlinear dynamics with the number of degrees of freedom (phase space dimensionality)…
Twisted bilayer systems with discrete magic angles, such as twisted bilayer graphene featuring moir\'{e} superlattices, provide a versatile platform for exploring novel physical properties. Here, we discover a class of superflat bands in…
We analyze the elastic properties, structural effects, and low-energy physics of a sheared nanoribbon placed on top of graphene, which creates a gradually changing moire pattern. By means of a classical elastic model we derive the strains…
To solve the Kohn-Sham equation within the framework of density functional theory, we develop a scheme to construct numerical atomic orbital (NAO) basis sets by contracting truncated spherical waves (TSWs). The contraction minimizes the…
A theoretical model is presented to compute the electronic band structures and optical absorption spectra for twisted incommensurate few-layers graphene (tLFG) systems of arbitrary architecture. This is accomplished using an integrated…