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On the switching between negative and positive thermal expansion in framework materials
Materials Research Letters ( IF 8.6 ) Pub Date : 2019-05-31 , DOI: 10.1080/21663831.2019.1621957
Andrea Sanson 1
Affiliation  

The control of thermal expansion represents a challenge in materials design. This work shows that the length of the lattice parameter is a key element for controlling thermal expansion. By varying the lattice parameter through external pressure, chemical or other methods, the single-well potential energy of the polyhedra rotations (or of the atomic transverse vibrations) responsible for negative thermal expansion (NTE), can be turned into a quartic anharmonic potential or into a double-well potential, thus enhancing or suppressing the NTE, respectively. This result applied to framework materials should be taken into account to overcome the challenge of controlling thermal expansion.



中文翻译:

关于框架材料的正负热膨胀之间的转换

热膨胀的控制代表了材料设计中的挑战。这项工作表明,晶格参数的长度是控制热膨胀的关键因素。通过外部压力,化学或其他方法改变晶格参数,可将负负热膨胀(NTE)的多面体旋转(或原子横向振动)的单阱势能转换为四次非谐能或进入双阱势,从而分别增强或抑制NTE。应该考虑将该结果应用于框架材料,以克服控制热膨胀的挑战。

更新日期:2019-05-31
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