Related papers: VO2 nanosheets: controlling the THz properties thr…
Vanadium dioxide is of broad interest as a spin-1/2 electron system that realizes a metal-insulator transition near room temperature, due to a combination of strongly correlated and itinerant electron physics. Here, resonant inelastic X-ray…
We investigate the impact of uniaxial strain on atomic shifts, dipolar interactions, polarization and electric permittivity in TiO$_2$ (rutile) by using two different implementations of density functional theory. It is shown that…
Strain engineering allows the physical properties of materials and devices to be widely tailored, as paradigmatically demonstrated by strained transistors and semiconductor lasers employed in consumer electronics. For this reason, its…
A quantum spin hall insulator(QSHI) is manifested by its conducting edge channels that originate from the nontrivial topology of the insulating bulk states. Monolayer 1T'-WTe2 exhibits this quantized edge conductance in transport…
The ability to manipulate spins in magnetic materials is essential in designing spintronics devices. One method for magnetic switching is through strain. In VO2 on TiO2 thin films, while VO2 remains rutile across the metal-insulator…
The physics of the metal-insulator transition (MIT) in vanadium dioxide remains a subject of intense interest. Because of the complicating effects of elastic strain on the phase transition, there is interest in comparatively strain-free…
Transition metal dichalcogenides such as MoS$_2$ represent promising candidates for building blocks of ultra-thin nanophotonic devices. For such applications, vertically-oriented MoS$_2$ (v-MoS$_2$) nanosheets could be advantageous as…
Mechanical strain is a powerful tool to tune the optical and optoelectronic properties of atomically thin semiconductors. Inhomogeneous strain plays an important role in exciton funneling and the activation of single-photon emitters in 2D…
The ability to control magnetism with strain offers innovative pathways for the modulation of magnetic domain configurations and for the manipulation of magnetic states in materials on the nanoscale. Although the effect of strain on…
The existence of a new two dimensional CN2 structure was predicted using ab-initio molecular dynamics (AIMD) and density-functional theory calculations. It consists tetragonal and hexagonal rings with C-N and N-N bonds arranged in a…
We performed an {\it ab initio} investigation on the properties of rutile tin oxide (SnO$_{x}$) nanowires. We computed the wire properties determining the equilibrium geometries, binding energies and electronic band structures for several…
This paper investigates strain effects on the electronic and optical properties of monolayer GaSe using first-principles calculations. The deformation significantly alters energy dispersion, band gap, and the band edge states of GaSe. The…
Vanadium dioxide (VO2) is an adjustable refractive index material and has capability of behaving as semiconductor or conductor depending on its temperature. Such condition makes it as a material which can be employed in fabricating…
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the…
Materials that undergo reversible metal-insulator transitions are obvious candidates for new generations of devices. For such potential to be realised, the underlying microscopic mechanisms of such transitions must be fully determined. In…
Strain provides an effective means to tune the electrical properties while retaining the native chemical composition of the material. Unlike three-dimensional solids, two-dimensional materials withstand higher levels of elastic strain…
The application of strain to 2D materials allows manipulating the electronic, magnetic, and thermoelectric properties. These physical properties are sensitive to slight variations induced by tensile and compressive strain and to the…
Vanadium oxide (VOx) is a material of significant interest due to its metal-insulator transition (MIT) properties as well as its diverse stable antiferromagnetism depending on the valence states of V and O with distinct MIT transitions and…
Nanomaterials with core-shell architectures are prominent examples of strain-engineered materials, where material properties can be designed by fine-tuning the misfit strain at the interface. Here, we elucidate the full 3D atomic structure…
Two dimensional (2D) van der Waals (vdW) magnetic semiconductors are a new class of quantum materials for studying the emergent physics of excitons and spins in the 2D limit. Twist engineering provides a powerful tool to manipulate the…