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1.
Phys Chem Chem Phys ; 26(3): 2341-2354, 2024 Jan 17.
Artigo em Inglês | MEDLINE | ID: mdl-38165967

RESUMO

Polarization, as an important characterization of the symmetry breaking systems, has attracted tremendous attention in two-dimensional (2D) materials. Due to their significant symmetry breaking, Janus 2D ferrovalley materials provide a desirable platform to investigate the charge, spin, and valley polarization, as well as their coupling effects. Herein, using first-principles calculations, the polarization properties of charge, spin, and valley in Janus VSiGeZ4 (Z = N, P, and As) monolayers are systematically studied. The mirror symmetry breaking leads to a non-zero dipole moment and surface work function difference, indicating the presence of out-of-plane charge polarization. Magnetic properties calculations demonstrate that VSiGeN4 is a 2D-XY magnet with a Berezinskii-Kosterlitz-Thouless temperature of 342 K, while VSiGeP4 and VSiGeAs4 have an out-of-plane magnetization with a Curie temperature below room temperature. The magnetization can be rotated by applying biaxial strain, allowing manipulation of the spin polarization via nonmagnetic means. The spontaneous valley polarization is predicted to be 46, 49, and 70 meV for VSiGeN4, VSiGeP4, and VSiGeAs4, respectively, whose physical origin can be elucidated by employing the model analysis. In particular, the biaxial strain can induce the valley polarization switching from the valence (conduction) band to conduction (valence) band, but it hardly changes the valley polarization strength. Meanwhile, the valley extremum is transformed from the K' (K) to K (K') points. The present work not only provides an underlying insight into the polarization properties of Janus VSiGeZ4 but also offers a class of promising materials for spintronic and valleytronic devices.

2.
Dalton Trans ; 53(25): 10603-10617, 2024 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-38855983

RESUMO

Due to their novel spin and valley properties, two-dimensional (2D) ferrovalley materials are expected to be promising candidates for next-generation spintronic and valleytronic devices. However, they are subject to various defects in practical applications. Therefore, the electronic, valley, and magnetic properties may be modified in the presence of the defects. In this work, utilizing first-principles calculations, we systematically studied the effects of defects on the electronic, valley, and magnetic properties of the 2D ferrovalley material VSi2N4. It has been found that C doping, O doping, and N vacancies result in the half-metallic feature, Si vacancies result in the metallic feature, and V vacancies result in a bipolar gapless semiconductor. These defect-induced electronic properties can be effectively tuned by changing defect concentration and layer thickness. Since the impurity bands do not affect the K and K' valleys, valley polarization is well maintained in O-doped and N-defective systems. Importantly, these defects play a crucial role in modifying the magnetic properties of the pristine VSi2N4, especially the magnitude of local magnetic moments and the magnetic anisotropy energy. Detailed analysis of the density of states demonstrates that the variations of the total magnetic moment and magnetic anisotropy energy with biaxial strain are determined by the electronic states near the Fermi level rather than the type of defect, which provides a new understanding of the effects of defects on the magnetic properties of 2D materials. Moreover, the layer thickness can affect the magnetic coupling between defects and surrounding V atoms. Our results offer insight into the electronic, valley, and magnetic properties of VSi2N4 in the presence of various point defects.

3.
Artigo em Chinês | MEDLINE | ID: mdl-25782263

RESUMO

Dongting Lake area is one of the major marshland schistosomiasis endemic areas in China. In recent years, spatial epidemiology is widely used in the research of schistosomiasis, which is a new opportunity to break through the current wandering situation of schistosomiasis control. In this article, both the generalized and Dongting-Lake-specific epidemic indicators of schistosomiasis are reviewed to provide the basis to construct the schistosomiasis Geographic Information System (GIS) database of Hunan Province.


Assuntos
Sistemas de Informação Geográfica , Esquistossomose/epidemiologia , Animais , China/epidemiologia , Humanos , Lagos , Esquistossomose/parasitologia , Caramujos/crescimento & desenvolvimento , Caramujos/parasitologia
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