Publications

This list summarizes the research articles published utilizing TBPLaS or its predecessor Tipsi since 2015.

Moiré superlattices

• Robust flat bands in twisted trilayer graphene moiré quasicrystals, Nat. Commun.15, 8437 (2024)

• Tuning flat bands by interlayer interaction, spin-orbital coupling, and external fields in twisted homotrilayer MoS2, Phys. Rev. B 109, 085118 (2024)

• Evolution of the confined states in graphene nanobubbles, Phys. Rev. B 109, 115420 (2024)

• Dispersion-Selective Band Engineering in an Artificial Kagome Superlattice, Phys. Rev. Lett. 133, 066302 (2024)

• Nanoscale Optical Conductivity Imaging of Double-Moiré Twisted Bilayer Graphene, Nano Lett. 2024, 24, 37, 11490–11496

• Observation of Rydberg moiré excitons, Science 380, 1367 (2023)

• Commensurate and incommensurate double moiré interference in twisted trilayer graphene, Phys. Rev. B 107, 035109 (2023)

• Electronic properties of twisted bilayer graphene suspended and encapsulated with hexagonal boron nitride, Phys. Rev. B 107, 115140 (2023)

• Flat-band plasmons in twisted bilayer transition metal dichalcogenides, Phys. Rev. B 105, 245415 (2022)

• An atomistic approach for the structural and electronic properties of twisted bilayer graphene-boron nitride heterostructures, npj Computational Materials 8, 73 (2022)

• Magic angle and plasmon mode engineering in twisted trilayer graphene with pressure, Phys. Rev. B 104, 205104 (2021)

• Lattice relaxation, mirror symmetry and magnetic field effects on ultraflat bands in twisted trilayer graphene, Sci. China: Phys. Mech. Astron. 64, 267811 (2021)

• Collective excitations and flat-band plasmon in twisted bilayer graphene near the magic angle, Phys. Rev. B 103, 115431 (2021)

• Large-area, periodic, and tunable intrinsic pseudo-magnetic fields in low-angle twisted bilayer graphene, Nat. Commun. 11, 371 (2020)

• Tunability of multiple ultraflat bands and effect of spin-orbit coupling in twisted bilayer transition metal dichalcogenides, Phys. Rev. B 102, 241106 (R) (2020)

• Tuning band gaps in twisted bilayer MoS2, Phys. Rev. B 102, 235418 (2020)

• Effect of moiré superlattice reconstruction in the electronic excitation spectrum of graphene-metal heterostructures, 2D Mater. 4, 021001 (2017)

Quasicrystals

• Flat-band plasmons in twisted bilayer transition metal dichalcogenides, Phys. Rev. B 105, 245415 (2022)

• Interlayer hybridization in graphene quasicrystal and other bilayer graphene systems, Phys. Rev. B 105, 125403 (2022)

• Electronic structure of 30∘ twisted double bilayer graphene, Phys. Rev. B 102, 115123 (2020)

• Pressure and electric field dependence of quasicrystalline electronic states in 30∘ twisted bilayer graphene, Phys. Rev. B 102, 045113 (2020)

• Dodecagonal bilayer graphene quasicrystal and its approximants, npj Comput. Mater. 5, 122 (2019)

Fractals

• Electronic states and quantum transport in bilayer graphene Sierpinski-carpet fractals, Phys. Rev. B 109, 235429 (2024)

• Electronic properties and quantum transport in functionalized graphene Sierpinski-carpet fractals, Phys. Rev. B 105, 205433 (2022)

• Linearized spectral decimation in fractals, Phys. Rev. B 102, 075440 (2020)

• Confined electrons in effective plane fractals, Phys. Rev. B 102, 245425 (2020)

• Hall conductivity of a Sierpiński carpet, Phys. Rev. B 101, 045413 (2020)

• Power-law energy level spacing distributions in fractals, Phys. Rev. B 99, 075402 (2019)

• Plasmon confinement in fractal quantum systems, Phys. Rev. B 97, 205434 (2018)

• Optical conductivity of a quantum electron gas in a Sierpinski carpet, Phys. Rev. B 96, 235438 (2017)

• Quantum transport in Sierpinski carpets, Phys. Rev. B 93, 115428 (2016)

Two-dimensional structures

• Real-Space Mapping of Local Subdegree Lattice Rotations in Low-Angle Twisted Bilayer Graphene, Nano Lett. 23, 1836 (2023)

• Realizing One-Dimensional Electronic States in Graphene via Coupled Zeroth Pseudo-Landau Levels, Phys. Rev. Lett. 129, 056803 (2022)

• Polarization-Dependent Selection Rules and Optical Spectrum Atlas of Twisted Bilayer Graphene Quantum Dots, Phys. Rev. X 12, 021055 (2022)

• Electronic properties of germanene on pristine and defective MoS2: A first-principles study, Phys. Rev. B 105,09411 (2022)

• Electronic properties and quasiparticle model of monolayer MoSi2N4, Phys. Rev. B 104, 155110 (2021)

• Anisotropic ultraviolet-plasmon dispersion in black phosphorus, Nanoscale 10, 21918 (2018)

• Electronic structure of monolayer antimonene nanoribbons under out-of-plane and transverse bias, Phys. Rev. Mater. 2, 114011 (2018)

• Plasmon spectrum of single-layer antimonene, Phys. Rev. B 98, 155411 (2018)

• Tunable electronic and magneto-optical properties of monolayer arsenene: From GW0 approximation to large-scale tight-binding propagation simulations, Phys. Rev. B 98, 115117 (2018)

• Effective lattice Hamiltonian for monolayer tin disulfide: Tailoring electronic structure with electric and magnetic fields, Phys. Rev. B 97, 245410 (2018)

• Quantum Hall effect and semiconductor-to-semimetal transition in biased black phosphorus, Phys. Rev. B 93, 245433 (2016)

• Screening and plasmons in pure and disordered single- and bilayer black phosphorus, Phys. Rev. B 92, 115440 (2015)

• Fingerprints of disorder source in graphene, Phys. Rev. B 92, 045437 (2015)

• Transport and optical properties of single- and bilayer black phosphorus with defects, Phys. Rev. B 91, 115436 (2015)

• Modeling Klein tunneling and caustics of electron waves in graphene, Phys. Rev. B 91, 045420 (2015)

• Effect of Structural Relaxation on the Electronic Structure of Graphene on Hexagonal Boron Nitride, Phys. Rev. Lett. 115, 186801 (2015)

• Electronic Structures and Optical Properties of Partially and Fully Fluorinated Graphene, Phys. Rev. Lett. 114, 047403 (2015)

Machine learning

• Deep learning tight-binding approach for large-scale electronic simulations at finite temperatures with ab initio accuracy, Nat. Commun.15, 6772 (2024)