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Two-dimensional (2D) materials with robust magnetism have drawn immense attention for their promising applications in spintronics. Recently, intrinsic ferromagnetic vanadium triiodide (VI3) has been synthesized experimentally. To enhance…
Inducing a robust long-range magnetic order in diamagnetic graphene remains a challenge. While nitrogen-doped graphene is reported to be a promising candidate, the corresponding exchange mechanism endures unclear and is essential to tune…
The successful assembly of heterostructures consisting of several layers of different 2D materials in arbitrary order by exploiting van der Waals forces has truly been a game changer in the field of low dimensional physics. For instance,…
Van der Waals (vdW) heterostructures allow the engineering of electronic and magnetic properties by the stacking different two-dimensional vdW materials. For example, orbital hybridisation and charge transfer at a vdW interface may result…
Van der Waals heterostructures based on two-dimensional materials have recently become a very active topic of research in spintronics, both aiming at a fundamental description of spin dephasing processes in nanostructures and as a potential…
In this work, we present an investigation regarding how and why molecular hydrogen changes the electronic properties of graphene field effect transistors. We demonstrate that interaction with H2 leads to local doping of graphene near of the…
First-principles density functional theory (DFT) study of embedding V and Nb atom in monovacant and divacant graphene is reported. Complete/almost complete spin polarization is verified for V/Nb embedding in MV/DV graphene. The origin of…
In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of…
The combination of ferromagnetism and semiconducting behavior offers an avenue for realizing novel spintronics and spin-enhanced thermoelectrics. Here we demonstrate the synthesis of doped and nanocomposite half Heusler Fe$_{1+x}$VSb films…
Stacked van der Waals (vdW) heterostructures where semi-conducting two-dimensional (2D) materials are contacted by overlayed graphene electrodes enable atomically-thin, flexible electronics. We use first-principles quantum transport…
The search for a two-dimensional material that simultaneously fulfills some properties for its use in spintronics and optoelectronics, i.e., a suitable bandgap with high in-plane carrier mobility and good environmental stability, is the…
The discoveries of magnetism and ferroelectricity in 2D van der Waals (vdW) materials have brought important functionalities to the 2D materials family, and may trigger a revolution in next generation nanoelectronics and spintronics. In…
We find, through first-principles calculations, that hole doping induces a ferromagnetic phase transition in monolayer GaSe. Upon increasing hole density, the average spin magnetic moment per carrier increases and reaches a plateau near 1.0…
Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…
Magnetism in transition-metal systems emerges from exchange interactions that depend sensitively on carrier density. Yet leveraging this sensitivity to deliberately engineer exchange frustration and associated topological spin textures…
To understand the magnetic properties of Fe$_3$GeTe$_2$, we performed the detailed first-principles study. Contrary to the conventional wisdom, it is unambiguously shown that Fe$_3$GeTe$_2$ is not ferromagnetic but antiferromagnetic…
The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I…
In the past decade, room temperature ferromagnetism was often observed in transition metal doped semiconductors, which were claimed as diluted magnetic semiconductors (DMS). Nowadays intensive activities are devoted to clarify wether the…
All-electric-controlled nonvolatile spin field-effect transistors (SFETs) based on two-dimensional (2D) multiferroic van der Waals (vdW) heterostructures hold great promise for advanced spintronics applications. However, their performance…
Magnetic properties of graphenic carbon nanostructures, relevant for future spintronic applications, depend crucially on doping and on the presence of defects. In this paper we study the magnetism of the recently detected substitutional Ni…