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Electronic structures of carbides with the rocksalt structure were calculated by full potential electronic codes solving the Kohn-Sham equation. Bonding characters were analyzed by constructing tight-binding Hamiltonian based on…
The magnetic Gilbert damping and spin-orbital to charge interconversion phenomenon play vital role in controlling the modern spintronics device performances. Though the ferromagnets (FMs) and heavy metals (HMs) are considered to be the key…
We investigate linear and nonlinear transport in interacting single wall carbon nanotubes (SWCNTs) that are weakly attached to ferromagnetic leads. For the reduced density matrix of a SWCNT quantum dot, equations of motion which account for…
The precise positioning of dopant atoms within bulk crystal lattices could enable novel applications in areas including solid-state sensing and quantum computation. Established scanning probe techniques are capable tools for the…
How to electrically control magnetic properties of a magnetic material is promising towards spintronic applications, where the investigation of carrier doping effects on antiferromagnetic (AFM) materials remains challenging due to their…
Recently, superconductivity with a $T_c$ up to 78 K has been reported in bulk samples of the bilayer nickelate La$_3$Ni$_2$O$_7$ at pressures above 14 GPa. Important theoretical tasks are the formulation of relevant low-energy models and…
We present a systematic study of the electronic and magnetic properties of transition-metal (TM) atomic chains adsorbed on the zigzag single-wall carbon nanotubes (SWNTs). We considered the adsorption on the external and internal wall of…
The electronic and magnetic properties of neutral substitutional transition-metal dopants in dia- mond are calculated within density functional theory using the generalized gradient approximation to the exchange-correlation potential. Ti…
Effect of the coupling to mobile carriers on the 120$^\circ$ antiferromagnetic state is investigated in a ferromagnetic Kondo lattice model on a frustrated triangular lattice. Using a variational calculation for various spin orderings up to…
We present a lattice field theory of spins coupled to Dirac fermions, as a model for the doped copper oxide compounds. Both the fermionic and spin degrees of freedom are treated dynamically. The influence of the charge carriers on the…
Tailor-made graphene nanostructures can exhibit symmetry-protected topological boundary states that host localized spin-$1/2$ moments. However, one frequently observes charge transfer on coinage metal substrates, which results in spinless…
Graphene, due to its exceptional properties, is a promising material for nanotechnology applications. In this context, the ability to tune the properties of graphene-based materials and devices with the incorporation of defects and…
Spins in solids are cornerstone elements of quantum spintronics. Leading contenders such as defects in diamond, or individual phosphorous dopants in silicon have shown spectacular progress but either miss established nanotechnology or an…
We investigate the spin transport and ferromagnetic resonance properties of giant magnetoresistive (GMR) Co/Cu-Ni multilayers with variable levels of Ni doping in the Cu spacer. We present an experimental evidence for a…
We use synchrotron x-ray diffraction and electrical transport under pressure to probe both the magnetism and the structure of single crystal NiS2 across its Mott-Hubbard transition. In the insulator, the low-temperature antiferromagnetic…
The ground-state properties of Fe, Co, and Ni are studied with the linear-augmented-plane-wave (LAPW) method and norm-conserving pseudopotentials. The calculated lattice constant, bulk modulus, and magnetic moment with both the…
Hyperdoping, overcoming the solubility limit of dopants in a crystalline semiconductor, is a fertile method for the enhancement of the electrical, structural and optical devices' performances and for the exploration of exotic phases such as…
Superconductivity was recently observed in boron-doped ($\sqrt{3}\times\sqrt{3}$)Sn/Si(111). The material can be described by an extended Hubbard model on a triangular lattice. Here, we use the random-phase approximation to investigate the…
In the "flopping-mode" regime of electron spin resonance, a single electron confined in a double quantum dot is electrically driven in the presence of a magnetic field gradient. The increased dipole moment of the charge in the flopping mode…
The recent discovery of superconductivity in Nd$_{1-x}$Sr$_{x}$NiO$_2$ has drawn significant attention in the field. A key open question regards the evolution of the electronic structure with respect to hole doping. Here, we exploit x-ray…