Related papers: Tailoring electronic properties on Bi$_2$O$_2$Se u…
Theoretical work has suggested that monolayer MoS2 doped with Mn should behave as a two-dimensional dilute magnetic semiconductor, which would open up possibilities for spintronic applications, device physics, and novel ground states. The…
Van der Waals single-layer materials are characterized by an inherent extremely low bending rigidity and therefore are prone to nanoscale structural modifications due to substrate interactions. Such interactions can induce excess charge…
The recent advent of artificial structures has triggered the emergence of fascinating phenomena that could not exist in natural compounds. A prime example is twisted multilayers, i.e., moir\'e superlattices represented by magic-angle…
Both spin textures and multiple valleys in the momentum space have attracted great attentions due to their versatile applications in spintronics and valleytronics. It is highly desirable to realize multiple types of spin textures in a…
The coexistence of seemingly mutually exclusive properties such as ferromagnetism, ferroelectricity and metallicity in atomically thin materials is the requirement of the hour in electronics as the Moore's law faces an impending end. Only a…
Two-dimensional (2D) magnetic materials are essential for the development of the next-generation spintronic technologies. Recently, layered van der Waals (vdW) compound MnBi2Te4 (MBT) has attracted great interest, and its 2D structure has…
Application of a significantly large bias voltage to small Bi2Sr2CaCu2O8+x mesa structures leads to persistent doping of the mesas. Here we employ this effect for analysis of the doping dependence of the electronic spectra of Bi-2212 single…
Interlayer coupling plays a critical role in tuning the electronic structures and magnetic ground states of two-dimensional materials, influenced by the number of layers, interlayer distances, and stacking order. However, its effect on the…
With help of ab initio density functional theory calculation, DFT+U, and hybrid functional HSE06, we revisit the layer dependent electronic structure and magnetic properties of pristine and 3d transition metal Cr doped MoS$_2$ monolayer and…
Thinning crystalline materials to two dimensions (2D) creates a rich playground for electronic phases, including charge, spin, superconducting, and topological order. Bulk materials hosting charge density waves (CDWs), when reduced to…
Using the ab initio FLAPW-GGA method we examine the electronic and magnetic properties of nitrogen-doped non-magnetic sesquioxide La2O3 emphasizing the role of doping sites in the occurrence of d0-magnetism. We predict the magnetization of…
Lots of two-dimensional (2D) materials have been predicted theoretically, and further confirmed in experiment, which have wide applications in nanoscale electronic, optoelectronic and thermoelectric devices. Here, the thermoelectric…
The potential applications of dilute magnetic oxides (DMOs) in magneto-optic and spintronic devices have attracted significant attention, although understanding their magnetic behavior is complex due to intricate interactions of intrinsic…
First-principles calculation was used to study the structural and electronic features of the low dimensional oxide structure, SrTiO_{3}/Sr_{1-x}La_{x}TiO_{3} (x=0.25) superlattices, constructed by submonolayer low dimensional La doping into…
The discovery of local-moment magnetism in van der Waals (vdW) semiconductors down to the single-layer limit has led to a paradigm shift in the understanding of two-dimensional (2D) magnets and unleashed their potential for applications in…
Vertical integration of two-dimensional (2D) van der Waals (vdW) materials with different quantum ground states is predicted to lead to novel electronic properties that are not found in the constituent layers. Here, we present the direct…
The electronic, thermal and optical properties of a monolayer BeO with Boron (B) and Nitrogen (N) co-dopant atoms are studied by means of a density functional theory computation. Our calculations reveal that BeO with BN-codopant atoms can…
Recently the discovery of magnetic order in two-dimensional monolayer chromium trihalides opens the new research field in two-dimensional materials. We use first-principles calculations to systematically examine the doping effect of…
We systematically investigate the electronic structures of pristine monolayer WSe$_2$ and WSe$_2$ superlattices with periodic nitrogen substitution. Unlike random doping, which often introduces in-gap impurity states, periodic nitrogen…
Modern semiconductor materials are increasingly used in multidisciplinary systems demonstrating cross-interactions between mechanical strains and electronic potentials, which gives rise to ubiquitous applications in high sensitivity,…