Related papers: A first-principles DFT+GW study of spin-filter and…
We have developed a new type of self-consistent scheme within the $GW$ approximation, which we call quasiparticle self-consistent $GW$ (QS$GW$). We have shown that QS$GW$ rather well describes energy bands for a wide-range of materials,…
Technological applications of many-body structures that emerge in gated devices under minimal control are largely unexplored. Here we show how emergent Wigner crystals in a semiconductor quantum wire can facilitate a pivotal requirement for…
Magnetic and electronic transport properties of Co$_2$MnZ (Z = Al, Ga, Ge, Si, Sn) Heusler alloys were experimentally investigated. Electrical resistivity, in the temperature range from 4.2 to 300 K, as well as field dependences of the Hall…
We report on the importance of GW self-energy corrections for the electronic structure of light actinides in the weak-to-intermediate coupling regime. Our study is based on calculations of the band structure and total density of states of…
Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in…
We combine {\em ab initio} density functional theory (DFT) structural studies with DFT-based nonequilibrium Green function calculations to investigate how the presence of non-hexagonal rings affects electronic transport in graphitic…
Spin Waves (SWs) propagate through magnetic waveguides and interfere with each other without consuming noticeable energy, which opens the road to new ultra-low energy circuit designs. In this paper we build upon SW features and propose a…
The dielectric function is one of the most important quantities that describes the electrical and optical properties of solids. Accurate modeling of the frequency-dependent dielectric function has great significance in the study of the…
Single-phase films of the full Heusler compound Fe2TiSi have been prepared by magnetron sputtering. The compound is found to be a semiconductor with a gap of 0.4eV. The electrical resistivity has a logarithmic temperature dependence up to…
The efficient production of spin-polarized currents at room temperature is fundamental to the advancement of spintronics. Spin-filter materials --- semiconductors with unequal band gaps for each spin channel --- can generate spin-polarized…
Hybrid superconductor-semiconductor heterostructures are promising platforms for realizing topological superconductors and exploring Majorana bound states physics. Motivated by recent experimental progress, we theoretically study how…
Zigzag edges of the honeycomb structure of graphene exhibit magnetic polarization making them attractive as building blocks for spintronic devices. Here, we show that devices with zigzag edged triangular antidots perform essential…
Employing first principles electronic structure calculations in conjunction with the frozen-magnon method we calculate exchange interactions, spin-wave dispersion, and spin-wave stiffness constants in inverse-Heusler-based spin gapless…
We investigate the wave effects of gravitational waves (GWs) using numerical simulations with the finite element method (FEM) based on the publicly available code {\it deal.ii}. We robustly test our code using a point source monochromatic…
Efficient manipulation of spin waves (SWs) is considered as one of the promising means for encoding information with low power consumption in next generation spintronic devices. The SW Doppler shift is one important phenomenon by…
First-principles simulations of electronic properties of hybrid inorganic/organic interfaces are challenging, as common density-functional theory (DFT) approximations target specific material classes like bulk semiconductors or gas-phase…
Possibility of a ferromagnetic semiconductor single wall carbon nanotube (SWCNT), where ferromagnetism is due to coupling between doped magnetic impurity on a zigzag SWCNT and electrons spin, is investigate. We found, in the weak…
We examine the spin-$S$ quantum Heisenberg magnet with Gaussian-random, infinite-range exchange interactions. The quantum-disordered phase is accessed by generalizing to $SU(M)$ symmetry and studying the large $M$ limit. For large $S$ the…
Atomically-thin magnetic crystals have been recently isolated experimentally, greatly expanding the family of two-dimensional materials. In this Article we present an extensive comparative analysis of the electronic and magnetic properties…
The spontaneous expulsion of applied magnetic field, the Meissner effect, is a defining feature of superconductors; in Type-II superconductors above the lower critical field, this screening takes the form of a lattice of magnetic flux…