Related papers: Stacking and Layer dependence of magnetic properti…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
Twisted double bilayer graphene has recently emerged as an interesting moir\'e material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three…
We present studies on magnetic nano-structures with 3D architectures, fabricated using electrodeposition in the pores of well-ordered templates prepared by self-assembly of polystyrene latex spheres. The coercive field is found to…
As the energy storage ecosystem evolves beyond lithium, MXenes, a versatile family of 2D materials derived from MAX phases, have emerged as promising candidates for next-generation energy storage electrodes due to their tunable surface…
MXene, the two-dimensional derivatives of MAX compounds, due to their structural and compositional flexibility, is an ideal family of compounds to study a number of structure-property relations. In this work, we have investigated the…
Strongly correlated ground states and exotic quasiparticle excitations in low-dimensional systems are central research topics in the solid state research community. The present work develops a new layered material and explores the physical…
We study the electronic structure and the magnetic properties of epitaxial (Ni1-xCox)Fe2O4(111) layers (x = 0 - 1) with thicknesses d = 1.7 - 5.2 nm grown on Al2O3(111)/Si(111) structures, to achieve a high value of inversion parameter y,…
The relative orientation (twist) of successive layers of stacked two-dimensional (2D) materials creates variations in the interlayer atomic registry. The variations often form a super lattice, called a moir\'e pattern, which can alter…
Electrical and thermal properties of atomically thin two-dimensional (2D) materials are affected by their environment, e.g. through remote phonon scattering or dielectric screening. However, while it is known that mobility and thermal…
Transition metal dichalcogenides are 2D structures with remarkable electronic, chemical, optical and mechanical properties. Monolayer and crystal properties of these structures have been extensively investigated, but a detailed…
As an emerging magnetic phase, altermagnets (AMs) with collinear compensated magnetism in real space and alternating spin splitting in the band structure have attracted widespread attention. Here, based on first-principles calculations, we…
Epitaxial CoFe2O4/Al2O3 bilayers are expected to be highly efficient spin injectors into Si owing to the spin filter effect of CoFe2O4. To exploit the full potential of this system, understanding the microscopic origin of magnetically dead…
Stability and electronic properties of atomic layers of GaN are investigated in the framework of the van der Waals-density functional theory. We find that the ground state of the layered GaN is a planar graphene-like configuration rather…
Long-range magnetic orders in atomically thin ferromagnetic CrI3 give rise to new fascinating physics and application perspectives. The physical properties of two-dimensional (2D) ferromagnetism CrI3 are significantly influenced by…
Structure optimizations were performed for 1 and 2 monolayers (ML) of Fe on a 5 ML W(110) substrate employing the all-electron full-potential linearized augmented plane-wave (FP-LAPW) method. The magnetic moments were also obtained for the…
We present a comprehensive investigation of the magnetic ordering in biphenylene network (BPN) layers, employing density functional theory (DFT) calculations under external perturbations, including uniaxial strains and hole doping. We…
Manipulating the optical and quantum properties of two-dimensional (2D) materials through strain engineering is not only fundamentally interesting but also provides significant benefits across various applications. In this work, we employ…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
Proximity effects allow for the adjustment of magnetic properties in a physically elegant way. If two thin ferromagnetic (FM) films are brought into contact, electronic coupling alters their magnetic exchange interaction at their interface.…
The magnetic ground state is crucial for the applications of the two-dimension magnets as it decides fundamental magnetic properties of the material, such as magnetic order, magnetic transition temperature, and low-energy excitation of the…