来自一个简单的结构的明显负热膨胀:立方 ScF ((3))
Benjamin K Greve1, Kenneth L Martin, Peter L Lee
1School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Journal of the American Chemical Society
|October 21, 2010
概括
三化在低温下表现出显著的负热膨胀. 这项研究实验证实了其立方ReO(3) 结构中的刚性结构单元的热诱导摇摆机制,解释了其独特的热特性.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 晶体学 晶体学是指结晶学.
背景情况:
- 三化 (ScF3) 具有立方ReO(3) 类型的结构.
- 负热膨胀 (NTE) 是一种在某些材料中观察到的现象,在加热时它们会收缩.
- 理论上,ReO(3) 结构通过"刚性单元模式"机制与NTE联系在一起.
研究的目的:
- 为了研究低温下三化的结构和热膨胀特性.
- 实验验证ScF3.3中负热膨胀的拟议机制.
- 在不同的温度和压力条件下,描述ScF3的相变态行为.
主要方法:
- 可变温度和压力X射线衍射研究.
- 扩展测量测量以确定热膨胀系数.
- 结构变化和阶段过渡的分析.
主要成果:
- 三化保留其立方ReO(3) 结构到10K.
- 在60-110 K之间观察到强大的负热膨胀 (α(l) ≈-14 ppm K(-1)) .
- 立方到方形相转换压力是温度依赖的,在低温下显著下降.
- 在室温下,CTE与ZrW(2) O(8) 相似,正热膨胀在1100K以上.
结论:
- 三化为负热膨胀的刚性单元模式机制提供了明确的实验演示.
- 它独特的热行为,包括NTE和可调相变,使其成为进一步研究的重要材料.
- 这些发现有助于对具有ReO(3) 结构的材料中NTE现象的理解.
相关概念视频
Thermal Expansion
The expansion of alcohol in a thermometer is one of many commonly encountered examples of thermal expansion, which is the change in size or volume of a given system as its temperature changes. The most visible example is the expansion of hot air. When air is heated, it expands and becomes less dense than the surrounding air, which then exerts an upward force on the hot air to, for example, make steam and smoke rise, and hot air balloons float. The same behavior happens in all liquids and gases,...
Ionic Crystal Structures
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...
Hybridization of Atomic Orbitals I
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
VSEPR Theory and the Basic Shapes
Overview of VSEPR Theory
Heat and Free Expansion
The work done by a thermodynamic system depends not only on the initial and final states but also on the intermediate states—that is, on the path. Like work, when heat is added to a thermodynamic system, it undergoes a change of state, and the state attained depends on the path from the initial state to the final state. Consider an ideal gas cylinder fitted with a piston. When the cylinder is heated at a constant temperature, the gas molecules absorb energy and expand slowly in a controlled...
Third Law of Thermodynamics
A pure, perfectly crystalline solid possessing no kinetic energy (that is, at a temperature of absolute zero, 0 K) may be described by a single microstate, as its purity, perfect crystallinity,and complete lack of motion means there is but one possible location for each identical atom or molecule comprising the crystal (W = 1). According to the Boltzmann equation, the entropy of this system is zero.


