Related papers: Gate-Tunable Exchange Coupling Between Cobalt Clus…
We propose a quantum gate architecture that allows for the systematic control of the effective exchange interactions between magnetic impurities embedded in nano-scale graphene flakes connected by a gated bridge. The entanglement between…
Electron-electron interactions play a critical role in many condensed matter phenomena, and it is tempting to find a way to control them by changing the interactions' strength. One possible approach is to place a studied system in proximity…
This work builds a bridge between density functional theory (DFT) and model interpretations of Anderson's superexchange theory by constructing a $f$-$d$-$p$ model with DFT Wannier functions to enable a direct quantum many-body solution…
We fabricated a non-local spin valve device with Co-MgO injector/detector tunnel contacts on a graphene spin channel. In this device, the spin polarization of the injector contact can be tuned by both the injector current bias and the gate…
We analyze the phase diagram of multilayer-graphene sandwiched between identical transition metal dichalcogenides. Recently realized in all van-der-Wall heterostructures, these sandwiches induce sizable (1-15 meV) spin orbit coupling in the…
We theoretically study the proximity spin-orbit coupling in graphene on transition-metal dichalcogenides monolayer stacked with arbitrary twist angles. We find that the relative rotation greatly enhances the spin splitting of graphene,…
Graphene has remarkable opportunities for spintronics due to its high mobility and long spin diffusion length, especially when encapsulated in hexagonal boron nitride (h-BN). Here, for the first time, we demonstrate gate-tunable spin…
We analyze the density functional theory (DFT) description of weak interactions by employing diffusion and reptation quantum Monte Carlo (QMC) calculations, for a set of benzene-molecule complexes. While the binding energies depend…
Hybrids of graphene and two dimensional transition metal dichalcogenides (TMDC) have the potential to bring graphene spintronics to the next level. As we show here by performing first-principles calculations of graphene on monolayer…
This study examines the magnetic interactions between spatially-variable manganese and chromium trimers substituted into a graphene superlattice. Using density functional theory, we calculate the electronic band structure and magnetic…
We perform systematic first-principles calculations of the proximity exchange coupling, induced by cobalt (Co) and nickel (Ni) in graphene, via a few (up to three) layers of hexagonal boron nitride (hBN). We find that the induced spin…
We have examined cobalt based valence tautomer molecules such as Co(SQ)$_2$(phen) using density functional theory (DFT) and variational configuration interaction (VCI) approaches based upon a model Hamiltonian. Our DFT results extend…
Spin field-effect transistors (SFETs) are promising candidates for low-power spin-based electronics, yet existing realizations that rely on spin-orbit coupling are constrained by limited material choices and short spin-coherence lengths.…
Graphene double quantum open the possibility to use charge or spin degrees of freedom for storing and manipulating quantum information in this new electronic material. However, impurities and edge disorders in etched graphene…
We employ density-functional theory (DFT) in the generalized gradient approximation (GGA) and its extensions GGA+$U$ and GGA+Gutzwiller to calculate the magnetic exchange couplings between pairs of Mn ions substituting Cd in a CdTe crystal…
The proximity-induced couplings in graphene due to the vicinity of a ferromagnetic insulator are analyzed. We combine general symmetry principles and simple tight-binding descriptions to consider different orientations of the magnetization.…
Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…
Using first-principles calculations we demonstrate sizable exchange coupling between a magnetic molecule and a magnetic substrate via a graphene layer. As a model system we consider cobaltocene (CoCp$_2$) adsorbed on graphene deposited on…
The spin current density functional theory (SCDFT) is the generalization of the standard DFT to treat a fermionic system embedded in the effective external field produced by the spin-orbit coupling interaction. Even in the absence of a spin…
Spintronic devices require materials that facilitate effective spin transport, generation, and detection. In this regard, graphene emerges as an ideal candidate for long-distance spin transport owing to its minimal spin-orbit coupling,…