相关论文: Robust intrinsic ferromagnetism in 2D half-metalli…
In this paper we present the microscopic origin of the ferromagnetism of Fe0.25TaS2 and its finite-temperature magnetic properties. We first obtain the band structures of Fe0.25TaS2 by the first-principles calculations and find that both…
Electronic structure calculations from first-principles are employed to design some new half-metallic fully-compensated ferrimagnets (or as they are widely known half-metallic antiferromagnets) susceptible of finding applications in…
High-temperature magnetic measurements have been carried out in hydrothermally synthesized greigite (Fe3S4). We show that the Curie temperature of greigite is significantly lower than that for its iron oxide counterpart Fe3O4. The lower TC…
Beyond conventional ferromagnetism and antiferromagnetism, altermagnetism is a recently discovered unconventional magnetic phase characterized by time-reversal symmetry breaking and spin-split band structures in materials with zero net…
Ferromagnetic topological insulators exhibit the quantum anomalous Hall effect that might be used for high precision metrology and edge channel spintronics. In conjunction with superconductors, they could host chiral Majorana zero modes…
If magnetic semiconductors are ever to find wide application in real spintronic devices, their magnetic and electronic properties will require tailoring in much the same way that band gaps are engineered in conventional semiconductors.…
Two-dimensional (2D) materials showing room-temperature magnetism and high coercivity are desired for combining magnetism with semiconducting properties useful for spintronics. In this work, the magnetic properties of the 1T phase of…
We present a study of the electronic structure and magnetism of Co$_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co$_2$MnAl is a…
Topological semimetals in ferromagnetic materials have attracted enormous attention due to the potential applications in spintronics. Using the first-principles density functional theory together with an effective lattice model, here we…
Realizing ferromagnetic semiconductors with room Curie temperature $T\rm_C$ remains a challenge in spintronics. Inspired by the recent experimental progress on the nanotubes based on 2D van der Waals non-magnetic transition-metal…
Intermetallic Heusler alloys are amongst the most attractive half-metallic systems due to the high Curie temperatures and the structural similarity to the binary semiconductors. In this review we present an overview of the basic electronic…
Finding new two-dimensional (2D) materials with novel quantum properties is highly desirable for technological innovations. In this work, we studied a series of metal-organic frameworks (MOFs) with different metal cores and discovered…
The design and fabrication of room-temperature ferrotoroidic materials and magnetic semiconductors are recognized worldwide as a great challenge, and of both theoretical and practical importance in the field of condensed matter physics and…
To seek half-metallic ferromagnets compatible with the GeSi semiconductor, we use state-of-the-art density-functional-theory methods to study cubic $\mathrm{VGe_3Si_4}$. After optimizing its crystal structure with various magnetic orders…
Two-dimensional (2D) van der Waals ferroelectrics provide an unprecedented architectural freedom for the creation of artificial multiferroics and non-volatile electronic devices based on vertical and co-planar heterojunctions of 2D ferroic…
Binary transition metal nitride with a graphene-like structure and strong magnetic properties is rare. Based on the first-principles calculations, we design two kinds of $M$N$_4$ ($M$ =transition metal) monolayers, which are transition…
Half-metals and spin gapless semiconductors are promising candidates for spintronic applications due to the complete (100%) spin polarization of electrons around the Fermi level. Based on recent experimental and theoretical findings of…
Room temperature ferromagnetism has been one of the most sought after topics in today's emerging field of spintronics. It is strongly believed that defect- and inhomogeneity- free sample growth should be the optimal route for achieving…
In two-dimensional (2D) magnetic systems, large magnetic anisotropy is needed to stabilize the magnetic order according to Mermin-Wagner theorem. Based on density functional theory (DFT) calculations, we propose that the magnetic…
We report measurements of the optical gap in a GdN film at temperatures from 300 to 6K, covering both the paramagnetic and ferromagnetic phases. The gap is 1.31eV in the paramagnetic phase and red-shifts to 0.9eV in the spin-split bands…