相关论文: Topological Semimetal features in the Multiferroic…
Density functional theory calculations are carried out to study the electronic and topological properties of $M$P$X_3$ ($M$ = Mn, Fe, Co, Ni, and $X$ = S, Se) monolayers in the ferromagnetic (FM) metastable magnetic state. We find that FM…
The controversy regarding the ferroelectric behavior of hexagonal InMnO$_3$ is resolved by using a combination of x-ray diffraction (XRD), piezoresponse force microscopy (PFM), second harmonic generation (SHG), and density functional theory…
Topological semimetals exhibit band crossings near the Fermi energy, which are protected by the nontrivial topological character of the wave functions. In many cases, these topological band degeneracies give rise to exotic surface states…
In the search for stable topological semimetals with clean band profiles, we have screened all the 3$d$ metal-intercalated transition-metal dichalcogenides (3dI-TMDCs) by performing hybrid-functional-based ab initio calculations. Two…
The ferroelectric phase of the multiferroic hexagonal manganites (h-ReMnO3) has been reported to undergo a series of magnetic transitions involving long-range ordering/reorientation of 4fRe3+ and/or 3dMn3+ spins below room temperature.…
Emergent topological phenomena in multiferroic materials arise from the intricate coupling between structural, electric, and magnetic order parameters. Hexagonal manganites provide a paradigmatic platform for such studies. These compounds…
Hexagonal manganites are multiferroic materials with two highly-dissimilar phase transitions: a ferroelectric transition (from P63/mmc to P63cm) at a temperature higher than 1000 K and an antiferromagnetic transition at TN=65 - 130 K.…
We propose that CaP3 family of materials, which include CaP3, CaAs3, SrP3, SrAs3 and BaAs3 can host a three-dimensional topological nodal line semimetal states. Based on first-principle calculations and kp model analysis, we show that a…
As the result of the high-temperature improper ferroelectric transition occurring in YMnO3 and other hexagonal manganites a striking domain pattern was observed: an emergence of six domains of alternating polarization from one point in a…
We introduce a new type of topological magnon matter: the magnonic pendant to electronic nodal-line semimetals. Magnon spectra of anisotropic pyrochlore ferromagnets feature twofold degeneracies of magnon bands along a closed loop in…
Hexagonal manganites REMnO3 (RE, rare earths) have attracted significant attention due to their potential applications as multiferroic materials and the intriguing physics associated with the topological defects. The two-dimensional (2D)…
In an ordinary three-dimensional metal the Fermi surface forms a two-dimensional closed sheet separating the filled from the empty states. Topological semimetals, on the other hand, can exhibit protected one-dimensional Fermi lines or…
The improper ferroelectricity in YMnO$_3$ and other related multiferroic hexagonal manganites are known to cause topologically protected ferroelectric domains that give rise to rich and diverse physical phenomena. The local structure and…
Topologically protected fermionic quasiparticles occur in metals with band degeneracy as a consequence of band structure topology. Here we unveil topological semimetal and metal phases in a variety of non-symmorphic collinear…
We present a prediction of the Dirac semimetal (DSM) phase in MgTa2N3 based on first-principles calculations and symmetry analysis. In this material, the Fermi level is located exactly at the Dirac point without additional Fermi surface…
The electronic and topological properties of single-layer X3YZ6 (X=Nb,Ta, Y=Si,Ge,Sn, Z=S,Se,Te) materials have been studied with the aid of first principles calculations. This kind of materials belong to topological semimetals (TMs) with…
Topological semimetals have energy bands near the Fermi energy sticking together at isolated points/lines/planes in the momentum space, which are often accompanied by stable surface states and intriguing bulk topological responses. Although…
Hexagonal RMnO3 manganites are improper ferroelectrics in which the electric polarization is a by-product of the tripling of the unit cell. In YMnO3, there is a second transition at ~ 920K whose nature remains unexplained. We argue that…
Structural changes in REMnO3 (RE= Y, Ho, Lu) under high pressure were examined by synchrotron x-ray diffraction methods at room temperature. Compression occurs more readily in the ab plane than along the c-axis. Under hydrostatic pressure…
Using ab initio calculations based on density-functional theory and effective model analysis, we propose that the trigonal YH3(Space Group: P-3c1) at ambient pressure is a node-line semimetal when spin-orbit coupling (SOC) is ignored. This…