Related papers: Hole doping MgB$_2$ without chemical substitution
Ab initio calculations and angle-resolved photoemission experiments show that the bulk and surface electronic structure of Weyl semimetal candidate MoTe$_2$ changes significantly by tuning the chemical potential by less than 0.4 eV.…
Bottom-up fabrication of graphene antidot lattices (GALs) has previously yielded atomically precise structures with sub-nanometer periodicity. Focusing on this type of experimentally realized GAL, we perform density functional theory…
Epitaxial graphene on SiC(0001) suffers from strong intrinsic n-type doping. We demonstrate that the excess negative charge can be fully compensated by non-covalently functionalizing graphene with the strong electron acceptor…
Two dimensional materials are important for electronics applications. A natural way for electronic structure engineering on two dimensional systems is on-plane chemical functionalization. Based on density functional theory, we study the…
The study of the non-linear response of matter to high electric fields has recently encompassed harmonic generation in solids at near-infrared (NIR) driving wavelengths. Interest has been driven by the prospect of ultrafast signal…
Our study sets forth a carbon based two-dimensional (2D) kagome topological insulator without containing any metal atoms, that aligns the Fermi level with the Dirac point without the need for doping, overcoming a significant bottleneck…
Graphene devices require electric contacts with metals, particularly with gold. Scanning tunneling spectroscopy studies of electron local density of states performed on mono-, bi- and tri- graphene layer deposited on metallic conductive…
Graphene is a realization of an esoteric class of materials -- electronic crystalline membranes. We study the interplay between the free electrons and the two-dimensional crystal, and find that it induces a substantial effect on the elastic…
Hydrogen storage remains a key challenge for the development of a sustainable hydrogen energy system, where materials must satisfy requirements on storage capacity, thermodynamics, kinetics, and reversibility. Complex borohydrides are…
Realization of logic circuits from graphene is very attractive for high-speed nanoelectronics. However, the intrinsic ambipolar nature hinders the formation of graphene logic devices with the conventional complementary architecture. Using…
We show that charge doping can induce transitions between three distinct adsorbate phases in hydrogenated and fluorinated graphene. By combining ab initio, approximate density functional theory and tight binding calculations we identify a…
The band gap of two-dimensional (2D) semiconductors can be efficiently tuned by gate electric field, which is so called the Stark effect. We report that doping, which is essential in realistic devices, will substantially change the Stark…
We study the electronic structure of the doped paramagnetic insulator by finite temperature Quantum Monte-Carlo simulations for the 2D Hubbard model. Throughout we use the moderately high temperature T=0.33t, where the spin correlation…
The ability to perform first-principles calculations of electronic and vibrational properties of two-dimensional heterostructures in a field-effect setup is crucial for the understanding and design of next-generation devices. We present…
In monolayer graphene, substitutional doping during growth can be used to alter its electronic properties. We used scanning tunneling microscopy (STM), Raman spectroscopy, x-ray spectroscopy, and first principles calculations to…
At low energy, electrons in doped graphene sheets behave like massless Dirac fermions with a Fermi velocity which does not depend on carrier density. Here we show that modulating a two-dimensional electron gas with a long-wavelength…
A doped graphene layer in the integer quantum Hall regime reveals a highly unusual particle-hole excitation spectrum, which is calculated from the dynamical polarizability in the random phase approximation. We find that the elementary…
For centrosymmetric materials such as monolayer graphene, no optical second harmonic generation (SHG) is generally expected because it is forbidden under the electric-dipole approximation. Yet we observed a strong, doping induced SHG from…
Being a true two-dimensional crystal, graphene has special properties. In particular, a point-like defect in graphene may have effects in the long range. This peculiarity questions the validity of using a supercell geometry in an attempt to…
Controlling the type and density of charge carriers by doping is the key step for developing graphene electronics. However, direct doping of graphene is rather a challenge. Based on first-principles calculations, a concept of overcoming…