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II-oxide and III-nitride semiconductors doped by nonmagnetic 2p light elements are investigated as potential dilute magnetic semiconductors (DMS). Based on our first-principle calculations, nitrogen doped ZnO, carbon doped ZnO, and carbon…
Magnetisms in $p$-type monolayer GaX (X=S,Se) is investigated by performing density-functional calculations. Due to the large density of states near the valence band edge, these monolayer semiconductors are ferromagnetic within a small…
Charge transfer plays a key role at the interfaces of heterostructures, which can affect electronic structures and ultimately the physical properties of the materials. However, charge transfer is difficult to manipulate externally once the…
Two-dimensional multiferroic van der Waals heterostructures provide a promising platform for the simultaneous control of distinct ferroic orders, with potential applications in magnetoelectric devices and spintronics. The practical…
We report on a theoretical study of the electronic, optical and magneto-optical properties of digital ferromagnetic hetero-structures based on $Mn$ $\delta$--doped $GaAs$. We consider different structures corresponding to $Mn$ contents…
Exploring two-dimensional (2D) materials with magnetic ordering is a focus of current research. It remains a challenge to achieve tunable magnetism in a material of one-atom-thickness without introducing extrinsic magnetic atoms or defects.…
Carbon materials are attracting increasing attention due to the novelty of the associated physical properties and the potential applications in high-tech devices. The possibility to achieve outstanding properties in macroscopic carbon…
We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…
The interplay between superconductivity and ferromagnetism has long been pursued as a route to unconventional Josephson effects, yet suitable material platforms remain limited. Here we report Josephson junctions based on epitaxial…
First-principles band structure investigations of the electronic, optical and magnetic properties of Mo-doped In$_2$O$_3$ reveal the vital role of magnetic interactions in determining both the electrical conductivity and the Burstein-Moss…
The exceptional electronic properties of monoatomic thin graphene sheets triggered numerous original transport concepts, pushing quantum physics into the realm of device technology for electronics, optoelectronics and thermoelectrics. At…
Solution-processed two-dimensional (2D) materials hold promise for their scalable applications. However, the random, fragmented nature of the solution-processed nanoflakes and the poor percolative conduction through their discrete networks…
Discovery of two-dimensional materials with unique electronic, superior optoelectronic or intrinsic magnetic order have triggered worldwide interests among the fields of material science, condensed matter physics and device physics.…
Motivated by growing interest in atomically-thin van der Waals magnetic materials, we present an {\it ab initio} theoretical study of the dependence of their magnetic properties on the electron/hole density $\rho$ induced via the electrical…
We present a comprehensive study of the energetics and magnetic properties of ZnO clusters doped with 3d transition metals (TM) using ab initio density functional calculations in the framework of generalized gradient approximation + Hubbard…
The interplay between superconductivity (SC) and ferromagnetism (FM) when embedded together has attracted unprecedented research interest due to very rare coexistence of these two phenomena. The focus has been mainly put into the proximity…
Magnetic complex-oxide heterostructures are of keen interest because a wealth of phenomena at the interface of dissimilar materials can give rise to fundamentally new physics and potentially valuable functionalities. Altered magnetization,…
When combined with transition metals with partially filled $d$-orbitals, magnetism can be incorporated in two-dimensional materials, which greatly expands the scope for fundamental researches and potential applications of these materials.…
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…
Nanometer-scale imaging of magnetization and current density is the key to deciphering the mechanisms behind a variety of new and poorly understood condensed matter phenomena. The recently discovered correlated states hosted in atomically…