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Interplay of altermagnetism and weak ferromagnetism in two-dimensional RuF4

Gaining growing attention in spintronics is a class of magnets displaying zero net magnetization and spin-split electronic bands called altermagnets. Here, by combining density functional theory and symmetry analysis, we show that RuF4 monolayer is a two-dimensional (2D) d-wave altermagnet. Spin-orbit coupling leads to pronounced spin splitting of the electronic bands at the Γ point by ∼ 100 meV and turns the RuF4 into a weak ferromagnet due to nontrivial spin-momentum locking that cants the ...

Predicting layered itinerant magnetic Fe3SiSe2 with spontaneous valley polarization

Density functional theory calculations are performed to systematically investigate the electronic and magnetic properties of few-layer and bulk Fe3SiSe2 (FSS). We predict that the bulk FSS has a metallic ground state and a layered structure displaying intralayer ferromagnetic ordering and interlayer antiferromagnetic ordering. The itinerant magnetism in the FSS was determined by the Stoner criterion. Predictions of the absence of unstable phonon modes and a moderate cleavage energy of only 28...

Covalency, correlations, and interlayer interactions governing the magnetic and electronic structure of Mn3Si2Te6

Mn3Si2Te6 is a rare example of a layered ferrimagnet. It has recently been shown to host a colossal angular magnetoresistance as the spin orientation is rotated from the in- to out-of-plane direction, proposed to be underpinned by a topological nodal-line degeneracy in its electronic structure. Nonetheless, the origins of its ferrimagnetic structure remain controversial, while its experimental electronic structure, and the role of correlations in shaping this, are little explored to date. Her...

Structural stability and polarization analysis of rhombohedral phases of HfO2

Since the experimental observation of a rhombohedral phase of hafnium oxide, there remains controversy over whether this phase belongs to the R3 or R3m space group. Moreover, the origin of polarization in these two rhombohedral phases has not been comparatively elucidated. Here, we present a theoretical study comparing the relative stability and ferroelectricity of the R3 and R3m phases of HfO2, representing two potential forms of heavily Zr-doped ferroelectric thin films of hafnia found rece...

First-principles study of ferroelectricity, antiferroelectricity, and ferroelasticity in two-dimensional γ -AlOOH

The exploration of two-dimensional (2D) ferroic materials and the investigation of ferroic couplings are highly desired in view of the design of next-generation functional devices. Herein, we report through first-principles calculations that the single-layer γ-AlOOH exhibits intrinsic ferroelectric (FE), antiferroelectric (AFE), and ferroelastic properties. The polarization and antipolarization originate from the orientational displacements of hydrogen atoms actuated by two soft phonon modes ...

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Pubblicazioni: [125192] Home page macrotipologia

Prodotti recenti

Interplay of altermagnetism and weak ferromagnetism in two-dimensional RuF4

Predicting layered itinerant magnetic Fe3SiSe2 with spontaneous valley polarization

Covalency, correlations, and interlayer interactions governing the magnetic and electronic structure of Mn3Si2Te6

Structural stability and polarization analysis of rhombohedral phases of HfO2

First-principles study of ferroelectricity, antiferroelectricity, and ferroelasticity in two-dimensional γ -AlOOH

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