相关论文: Two-Dimensional Ferromagnetic Half-Metallic Janus …
Structural, electronic, ferroelectric, and optical properties of two-dimensional (2D) BiN monolayer material with phosphorene-like structure are studied in terms of the density functional theory and modern Berry phase ferroelectric method.…
The coexistence of metallicity and ferroelectricity has been an intriguing and controversial phenomenon as these two material properties are considered incompatible in bulk. We clarify the concept of ferroelectric metal by revisiting the…
Half-metallic Heusler alloys are amongst the most promising materials for future magnetoelectronic applications. We review some recent results on the electronic properties of these compounds. The origin of the gap in these half-metallic…
Detailed information on the electronic states of both V and Mn 3d electrons in the ferrimagnet Mn2VAl is obtained by the bulk sensitive resonant inelastic soft x-ray scattering (SX-RIXS) excited with the circularly polarized light under an…
Using density functional theory we have performed theoretical investigations of the electronic properties of a free-standing one-dimensional organometallic vanadium-benzene wire. This system represents the limiting case of multi-decker…
Combined with first-principles calculations and semiclassical Boltzmann transport theory, Janus {\alpha}-STe2 and {\alpha}-SeTe2 monolayers are investigated systematically. Janus {\alpha}-STe2 and {\alpha}-SeTe2 monolayers are indirect…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
In recent years, intrinsic two-dimensional (2D) magnetism aroused great interest because of its potential application in spintronic devices. However, low Curie temperature (\emph{T}$_c$) and magnetic anisotropy energy (MAE) limit its…
Topological nodal line semimetals, a novel quantum state of materials, possess topologically nontrivial valence and conduction bands that touch at a line near the Fermi level. The exotic band structure can lead to various novel properties,…
Two-dimensional (2D) magnetic materials have attracted tremendous research interest because of the promising application in the next-generation microelectronic devices. Here, by the first-principles calculations, we propose a…
Here, we report by first-principles calculations one new stable 2D Dirac material, Ta2Se3 monolayer. For this system, stable layered bulk phase exists, and exfoliation should be possible. Ta2Se3 monolayer is demonstrated to support two…
Generating and controlling spin current in miniaturized magnetic quantum devices remains a central objective of spintronics, due to its potential to enable future energy-efficient information technologies. Among the existing magnetic…
Two-dimensional (2D) multiferroic materials with coexisting ferroelectricity and ferromagnetism have garnered substantial attention for their intriguing physical properties and diverse promising applications in spintronics. For example,…
Due to the low dimensionality in the quantization of the electronic states and degree of freedom for device modulation, two-dimensional (2D) ferromagnetism plays a critical role in lots of fields. In this study, we perform first-principles…
Single-layer pentagonal materials are an emerging family of two-dimensional (2D) materials that could exhibit novel properties due to the building blocks being pentagons instead of hexagons as in numerous 2D materials. Based on our recently…
Based on first-principles calculations, we studied the geometric configuration, stability and electronic structure of the two-dimensional Janus MoTeB2. The MoTeB2 monolayer is semimetal, and its attractive electronic structure reveals the…
2D materials with nontrivial energy bands are highly desirable for exploring various topological phases of matter, as low dimensionality opens unprecedented opportunities for manipulating the quantum states. Here, it is reported that…
Ferroelectric and two-dimensional materials are both heavily investigated classes of electronic materials. This is unsurprising since they both have superlative fundamental properties and high-value applications in computing, sensing etc.…
Condensed matter systems provide a rich setting to realize Dirac and Majorana fermionic excitations and the possibility to manipulate them in materials for potential applications. Recently, it has been proposed that Weyl fermions, which are…
Two-dimensional (2D) ferromagnetic materials are considered as promising candidates for the future generations of spintronic devices. Yet, 2D materials with intrinsic ferromagnetism are scarce. High-throughput first-principles simulations…