We revisit the problem of local moment formation in graphene due to chemisorption of individual atomic hydrogen or other analogous sp3 covalent functionalizations. We describe graphene with the single-orbital Hubbard model, so that the H chemisorption is equivalent to a vacancy in the honeycomb lattice. To circumvent artifacts related to periodic unit cells, we use either huge simulation cells of up to 8×105 sites, or an embedding scheme that allows the modeling of a single vacancy in an otherwise pristine infinite honeycomb lattice. We find three results that stress the anomalous nature of the magnetic moment (m) in this system. First, in the noninteracting (U=0) zero-temperature (T=0) case, the m(B) is a continuous smooth curve with diver...
Spin-dependent transport in hydrogenated two-dimensional graphene is explored theoretically. Adsorbe...
We analyze the electronic properties of adatom-doped graphene in the low-impurity-concentration regi...
[[abstract]]One intriguing finding in graphene is the vacancy-induced magnetism that highlights the ...
We revisit the problem of local moment formation in graphene due to chemisorption of individual atom...
The observation of intrinsic magnetic order in graphene and graphene-based materials relies on the f...
Hydrogen adatoms are shown to generate magnetic moments inside single layer graphene. Spin transport...
In this review we discuss the multifaceted problem of spin transport in hydrogenated graphene from a...
We investigate the details of the electronic structure in the neighborhoods of a carbon atom vacancy...
Conventional in-gap Yu–Shiba–Rusinov (YSR) states require two ingredients: magnetic atoms and a supe...
Using first principles calculations, we show that each hydrogen vacancy created at graphane surface ...
Hydrogenation provides a novel way to tune the electronic properties of graphene. Recent scanning tu...
Applying density functional theory we studied magnetism in partially hydrogenated graphene. We demon...
First-principles calculations of the spin-orbit coupling in graphene with hydrogen adatoms in dense ...
Spin-dependent features in the conductivity of graphene, chemically modified by a random distributio...
We address the electronic structure and magnetic properties of vacancies and voids both in graphene ...
Spin-dependent transport in hydrogenated two-dimensional graphene is explored theoretically. Adsorbe...
We analyze the electronic properties of adatom-doped graphene in the low-impurity-concentration regi...
[[abstract]]One intriguing finding in graphene is the vacancy-induced magnetism that highlights the ...
We revisit the problem of local moment formation in graphene due to chemisorption of individual atom...
The observation of intrinsic magnetic order in graphene and graphene-based materials relies on the f...
Hydrogen adatoms are shown to generate magnetic moments inside single layer graphene. Spin transport...
In this review we discuss the multifaceted problem of spin transport in hydrogenated graphene from a...
We investigate the details of the electronic structure in the neighborhoods of a carbon atom vacancy...
Conventional in-gap Yu–Shiba–Rusinov (YSR) states require two ingredients: magnetic atoms and a supe...
Using first principles calculations, we show that each hydrogen vacancy created at graphane surface ...
Hydrogenation provides a novel way to tune the electronic properties of graphene. Recent scanning tu...
Applying density functional theory we studied magnetism in partially hydrogenated graphene. We demon...
First-principles calculations of the spin-orbit coupling in graphene with hydrogen adatoms in dense ...
Spin-dependent features in the conductivity of graphene, chemically modified by a random distributio...
We address the electronic structure and magnetic properties of vacancies and voids both in graphene ...
Spin-dependent transport in hydrogenated two-dimensional graphene is explored theoretically. Adsorbe...
We analyze the electronic properties of adatom-doped graphene in the low-impurity-concentration regi...
[[abstract]]One intriguing finding in graphene is the vacancy-induced magnetism that highlights the ...