相关论文: Two-Dimensional Magnetic Boron
The structural and electronic properties of the doubly calcium-doped boron cluster B$_{18}$Ca$_2$ have been systematically investigated using density functional theory calculations. Basin-hopping searches reveal that B$_{18}$Ca$_2$ adopts a…
The magnetic structure of the intermetallic antiferromagnet Sm2IrIn8 was determined using x-ray resonant magnetic scattering (XRMS). Below TN = 14.2, Sm2IrIn8 has a commensurate antiferromagnetic structure with a propagation vector…
We develop a comprehensive theory for magnetoelectricity in magnetically ordered quasi-2D systems whereby in thermal equilibrium an electric field can induce a magnetization $m$ and a magnetic field can induce a polarization. This effect…
Chemical bonding and electronic structure of MgB2, a boron-based newly discovered superconductor, is studied using self-consistent band structure techniques. Analysis of the transformation of the band structure for the hypothetical series…
We design a multiferroic metal that combines seemingly incompatible ferromagnetism, ferroelectricity, and metallicity by hole doping a two-dimensional (2D) ferroelectric with high density of states near the Fermi level. The strong…
A multitude of observed boron-based materials have outstanding superconducting, mechanical, and refractory properties. Yet, the structure, the composition, and the very existence of some reported metal boride (M-B) compounds have been a…
Recent experiments suggest a new paradigm towards novel colossal magnetoresistance (CMR) in a family of materials EuM$_2$X$_2$(M=Cd, In, Zn; X=P, As), distinct from the traditional avenues involving Kondo-RKKY crossovers, magnetic phase…
Altermagnets -- newly identified collinear antiferromagnets -- carry zero net moment with non-relativistic, spin-polarized bands, distilling the best of ferromagnets and antiferromagnets into a single spintronic platform. Shrunking to the…
We report on the structural and magnetic properties of single and double atomic layers of Mn on a clean and unreconstructed Nb(110) substrate. Low-temperature scanning tunneling spectroscopy measurements reveal a proximity-induced…
The possibility of formation of a new type of polaron based on the quantum aniferromagnet (AF) model is reported. We take into account exchange interactions between localized d-d spins of the AF, as well as the p-d interaction of the AF…
We present a detailed and self-contained theoretical study of polarons in two-dimensional (2D) polar materials, which extends the classical macroscopic theory of Fr\"ohlich polarons to the 2D case. The theory is fully determined by…
The accurate charge density of MgB2 was observed at room temperature(R.T.) and 15K by the MEM(Maximum Entropy Method)/Rietveld analysis using synchrotron radiation powder data. The obtained charge density clearly revealed the covalent…
Density functional based simulations are employed to explore magnetoelectric effects in iron-based oxides, showing a unique layered structure. We theoretically predict CaFeO2 to be a promising magnetoelectric, showing…
Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings has been studied by means of first principles calculations, based on the generalized-gradient approximation of the density functional…
Magnetic ordering, as one of the most important characteristics in magnetic materials, could have significant influence on the band structure, spin dependent transport, and other important properties of materials. Its measurement,…
The antiferromagnetic (AFM) materials are robust to external magnetic perturbation due to missing any net magnetic moment. In general, the spin splitting in the band structures disappears in these antiferromagnets. However, the…
We propose a mechanism for the recently reported destabilization by an in-plane magnetic field of the conducting phase of low density electrons in 2D. We apply our self-consistent approach based on the memory function formalism to the fully…
We propose a concept of half-semiconductor antiferromagnets in which both spin-polarized valence and conduction bands belong to the same spin channel with completely compensated spontaneous magnetization. Using density functional theory…
A spin-1/2 antiferromagnetic(AFM) generalised ladder model is constructed which consists of four-spin plaquettes, coupled through weaker exchange interactions, to two-spin rungs. In an extended parameter regime, the exact ground state of…
Two-dimensional (2D) multiferroic materials are ideal systems for exploring new coupling mechanisms between different ferroic orders and producing novel quantum phenomena with potential applications. We employed first-principles density…