Corpus ID: 237571420

The electron localizations and the corresponding chemical interactions that govern the structures of elemental metals

@inproceedings{Sun2021TheEL,
  title={The electron localizations and the corresponding chemical interactions that govern the structures of elemental metals},
  author={Yuanhui Sun and Lei Zhao and Yonghao Zheng and Maosheng Miao},
  year={2021}
}
  • Yuanhui Sun, Lei Zhao, +1 author M. Miao
  • Published 20 September 2021
  • Physics
Elemental metals adopt and transform between very simple structures in an intriguing pattern under zero and high compressions. While most transition metals are only found in simple structures so far, the “simple” alkali and alkaline earth metals may transform into complicated structures under high pressure. Here, by employing large scale highthroughput calculations, we demonstrate a surprisingly simple and all-embracing theory that emerges after replacing the orthodox metallic bond concept with… Expand

Figures from this paper

References

SHOWING 1-10 OF 45 REFERENCES
Quasimolecules in Compressed Lithium.
TLDR
The quasimolecule concept provides a simple chemical perspective on the unusual insulating behavior of such materials, complementing the physical picture previously presented where the global crystal symmetry of the system plays the major role. Expand
High-pressure electrides: the chemical nature of interstitial quasiatoms.
TLDR
The computed Mg electride is used to understand metallic bonding in one class of electrides, and in general, the space confined between atoms in a high pressure environment offers up quantized states to electrons. Expand
Crystal structure of simple metals at high pressures
The effects of pressure on the crystal structure of simple (or sp-) elements are analysed in terms of changes in coordination number, packing density, and interatomic distances, and general rules areExpand
Transparent dense sodium
TLDR
Experimental observations of a pressure-induced transformation of Na into an optically transparent phase at ∼200 GPa are reported, attributing the emergence of this dense insulating state not to atom pairing, but to p–d hybridizations of valence electrons and their repulsion by core electrons into the lattice interstices. Expand
Potassium under pressure: electronic origin of complex structures
Recent high-pressure x-ray diffraction studies of alkali metals revealed unusual complex structures that follow the body-centered and face-centered cubic structures on compression. The structuralExpand
A chemical perspective on high pressure crystal structures and properties
  • J. Tse
  • Medicine
  • National science review
  • 2020
TLDR
It is desirable and advantageous to extend and apply established chemical principles to the study of the chemistry and chemical bonding of materials at high pressure to elucidation of the high pressure crystal structures of group I and II elements and polyhydrides. Expand
High pressure electrides: a predictive chemical and physical theory.
TLDR
By using a He lattice model to compress (with minimal orbital interaction at moderate pressures between the surrounding He and the contained atoms or molecules) atoms and an interstitial space, this work is able to semiquantitatively explain and predict the propensity of various elements to form HPEs. Expand
Origin of the complex crystal structures of elements at intermediate pressure
We present a unifying theory for the observed complex structures of sp-bonded elements under pressure on the basis of nearly free electron picture. In the intermediate pressure regime, the dominantExpand
Generalized valence bond studies of metallic bonding: naked clusters and applications to bulk metals
that the yield of matrix-trapped excess electrons in D 2 0 is larger than in H20 and concluded that D 2 0 is less efficient in the initial electron localization (to yield the solvated electron) thanExpand
High-pressure structures and phase transformations in elemental metals.
TLDR
The present critical review describes the high-pressure behaviour of each of the group 1 to 16 metallic elements in detail, summarising previous work and giving the best present understanding of the structures and transitions at ambient temperature. Expand
...
1
2
3
4
5
...