卡戈梅化合物Pd3P2S8中的超导和相位转换来自第一个原理计算
Bin Li1, Yeqian Yang2, Yuxiang Fan1
1School of Science, Nanjing University of Posts and Telecommunications, Nanjing 210023, People's Republic of China.
概括
新的研究揭示了Pd3P2S8,Kagome格子半导体,在压力下表现出超导性. 发现了几种新的超导相,临界温度达到9.13K.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
背景情况:
- 材料Pd3P2S8,一个带有Kagome网格的半导体,以展示各种物理现象而闻名.
- 由于其独特的电子和磁性特性,包括潜在的超导性,Kagome格子材料具有显著的兴趣.
研究的目的:
- 在高压下研究Pd3P2S8的结构和超导特性.
- 为了确定新的超导相,并了解压力诱导的半导体到超导体的过渡.
主要方法:
- 对Pd3P2S8进行了高通量结构搜索,其压力范围为0至120 GPa.
- 评估了预测阶段的动态稳定性.
- 使用电子 - 声子合计算,利用巴丁 - 库珀 - 施里弗理论来预测超导.
主要成果:
- 确定了Pd3P2S8的四个不同的阶段:两个具有空间组P3̄m1 (P3̄m1-1,P3̄m1-2) 和两个具有空间组C2/m (C2/m-1,C2/m-2).
- 除C2/m-2外,所有已识别的相都被发现是动态稳定的.
- 对所有稳定相的超导性进行了预测. P3̄m1-1阶段显示了半导体到超导体的过渡,临界温度 (Tc) 在70GPa时达到最大9.13K.
- 在C2/m-1和P3̄m1-2阶段,即使在环境压力 (0 GPa) 下,也表现出超导性.
结论:
- 这项研究揭示了Pd3P2S8在压力下出现的几个新的超导相.
- 这些发现为进一步探索Kagome格子材料中的超导性提供了宝贵的平台.
- 这些结果扩大了已知表现出超导性的材料的范围,并为研究Kagome晶格物理提供了新的途径.
相关概念视频
Phase Transitions: Sublimation and Deposition
17.2K
Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
17.2K
Superconductor
1.2K
A substance that reaches superconductivity, a state in which magnetic fields cannot penetrate, and there is no electrical resistance, is referred to as a superconductor. In 1911, Heike Kamerlingh Onnes of Leiden University, a Dutch physicist, observed a relation between the temperature and the resistance of the element mercury. The mercury sample was then cooled in liquid helium to study the linear dependence of resistance on temperature. It was observed that, as the temperature decreased, the...
1.2K
Phase Transitions: Melting and Freezing
12.5K
Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
12.5K
Phase Transitions
19.2K
Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
19.2K
Types Of Superconductors
1.0K
A superconductor is a substance that offers zero resistance to the electric current when it drops below a critical temperature. Zero resistance is not the only interesting phenomenon as materials reach their transition temperatures. A second effect is the exclusion of magnetic fields. This is known as the Meissner effect. A light, permanent magnet placed over a superconducting sample will levitate in a stable position above the superconductor. High-speed trains that levitate on strong...
1.0K
Phase Diagram
5.9K
The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
5.9K


