格子扭曲导致晶体Cs3Bi2I6Cl3中的玻璃般的热传输
Zezhu Zeng1, Zheyong Fan2, Michele Simoncelli3,4
1The Institute of Science and Technology Austria, Klosterneuburg 3400, Austria.
概括
研究人员研究了二甲化 (Cs3Bi2I6Cl3) 水晶中的令人费解的玻璃状导热率. 他们在低温下发现了巨大的格子扭曲,解释了异常的热传输,并为无序的材料提供了新的预测框架.
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
- 固态化学 固态化学
背景情况:
- 晶体无机矿,如Cs3Bi2I6Cl3,表现出令人困惑的玻璃般的导热性.
- 目前,对于这种材料中的这种现象缺乏理论解释.
- 了解无序材料中的热传输对于设计先进的功能材料至关重要.
研究的目的:
- 通过实验测量Cs3Bi2I6Cl3单晶体的热传输特性.
- 用先进的模拟技术理论解释观察到的玻璃状导热率.
- 建立一个框架来预测具有显著格子混乱的材料的热传输.
主要方法:
- 合成Cs3Bi2I6Cl3单晶的方法.
- 实验测量了从20到300K的导热率.
- 由机器学习潜力驱动的路径整体分子动力学模拟.
- 在热传输计算中应用维格纳公式.
主要成果:
- 实验确定了Cs3Bi2I6Cl3.3的热传输行为.
- 在Cs3Bi2I6Cl3.3.低温下识别大格子扭曲.
- 使用基于扭曲结构的模拟成功复制实验热导率.
- 大原子尺寸不匹配与观察到的格子扭曲的相关性.
结论:
- 很大的晶格扭曲,可能是由于原子尺寸不匹配,是Cs3Bi2I6Cl3.3中玻璃般的热传输的原因.
- 维格纳公式与机器学习潜力相结合,为了解无序材料中的热传输提供了有效的框架.
- 这项研究为预测和理解具有强烈晶格障碍和潜在矿结构的材料中的热传输提供了一条途径.
更多相关视频
11:14Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope
Published on: May 28, 2016
14.3K
08:00Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain
Published on: March 27, 2018
11.6K
相关概念视频
02:33Lattice Centering and Coordination Number
11.4K
The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
Types of Unit Cells
Imagine taking a large number of identical...
11.4K
02:42Ionic Crystal Structures
16.8K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
16.8K
02:54Trends in Lattice Energy: Ion Size and Charge
26.5K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
26.5K
02:22Structures of Solids
17.5K
Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
17.5K
02:18X-ray Crystallography
25.7K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
25.7K
02:44The Born-Haber Cycle
25.1K
Lattice Energy
25.1K