作为辅助性半导体的二维JanusSi2OX (X = S,Se,Te) 单层:理论预测
Nguyen P Q Anh1, N A Poklonski2, Vo T T Vi3
1Faculty of Electrical, Electronics and Materials Technology, University of Sciences, Hue University Hue 530000 Viet Nam.
RSC advances
|February 8, 2024
概括
新的Janus 2D材料Si2OS和Si2OSe显示出具有负Poisson的辅助性半导体特性.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 纳米技术纳米技术
背景情况:
- 辅助性材料具有独特的机械性能,如增强的抗和吸声能力.
- 虽然2D纳米材料的辅助性行为已知,但对垂直不对称的Janus 2D层结构的研究是有限的.
- 由于其不对称的原子排列,雅努斯结构提供了可调节的特性.
研究的目的:
- 为了研究Janus Si2OX (X = S,Se,Te) 单层的机械,电子和运输特性.
- 探索这些新的二维材料作为辅助性半导体的潜力.
主要方法:
- 使用第一原则计算来模拟和分析材料特性.
- 评估了Si2OS,Si2OSe和Si2OTe单层的稳定性.
- 研究了机械应变对电子带结构和电子移动性的影响.
主要成果:
- Si2OS和Si2OSe单层是稳定的,并表现出具有很大的负波桑比率的辅助性行为 (例如,沿x轴的Si2OS是-0.234).
- 这两种材料都是间接半导体,在机械应力下具有可调节的带间隙.
- 在双轴应力下,间接到直接的带隙过渡发生,并且观察到高电子流动性,特别是在x方向.
结论:
- 斯Si2OS和Si2OSe单层代表了稳定的辅助性半导体的新类.
- 它们的不对称结构和可调节的电子特性使得它们对先进的电子和纳米机械应用具有前景.
相关概念视频
Band Theory
15.1K
When two or more atoms come together to form a molecule, their atomic orbitals combine and molecular orbitals of distinct energies result. In a solid, there are a large number of atoms, and therefore a large number of atomic orbitals that may be combined into molecular orbitals. These groups of molecular orbitals are so closely placed together to form continuous regions of energies, known as the bands.
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
15.1K
Semiconductors
703
There is variation in the electrical conductivity of materials - metals, semiconductors, and insulators that are showcased with the help of the energy band diagrams.
Metals such as copper (Cu), zinc (Zn), or lead (Pb) have low resistivity and feature conduction bands that are either not fully occupied or overlap with the valence band, making a bandgap non-existent. This allows electrons in the highest energy levels of the valence band to easily transition to the conduction band upon gaining...
Metals such as copper (Cu), zinc (Zn), or lead (Pb) have low resistivity and feature conduction bands that are either not fully occupied or overlap with the valence band, making a bandgap non-existent. This allows electrons in the highest energy levels of the valence band to easily transition to the conduction band upon gaining...
703
Metal-Semiconductor Junctions
352
The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The...
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The...
352
Biasing of Metal-Semiconductor Junctions
259
Biasing metal-semiconductor junctions involves applying a voltage across the junction. Specifically, the metal is connected to a voltage source, while the semiconductor is grounded. This technique is essential for controlling the direction and magnitude of current flow in electronic devices, including diodes, transistors, and photovoltaic cells.
In Schottky junctions, where the semiconductor is n-type, applying a positive voltage to the metal relative to the semiconductor reduces its Fermi...
In Schottky junctions, where the semiconductor is n-type, applying a positive voltage to the metal relative to the semiconductor reduces its Fermi...
259
Predicting Molecular Geometry
34.3K
VSEPR Theory for Determination of Electron Pair Geometries
34.3K
Electrostatic Boundary Conditions in Dielectrics
1.2K
When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's...
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's...
1.2K


