arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1702.04141cond-mat.mtrl-scicond-mat.supr-con
收藏

钾掺杂引起并五苯的结构和电子变化

Structural and electronic changes of pentacene induced by potassium doping

A. Guijarro, J. A. Vergés

摘要:

钾被引入到并五苯的人字形晶体结构中,寻找一种在足够小的温度下表现出金属电子传输特性和超导性的化合物。对K_2Pentacene(2:1)和K_3Pentacene(3:1)化合物的几种可能结构进行了理论研究。详细的状态密度为所有这些。作为一个更突出的结果,一个新的单斜结构已经稳定的钾丰富的材料,可以对应于最近合成的超导相K3并五苯。虽然在能量上是不利的,但它是迄今为止发现的唯一金属候选者。

英文摘要:

Potassium is introduced into the crystalline herringbone structure of pentacene searching for a compound showing metallic electronic transport properties and, hopefully, superconductivity at small enough temperatures. Several possible structures for stoichiometric KPentacene (1:1), K2Pentacene (2:1) and K3Pentacene (3:1) compounds are theoretically investigated. Detailed densities of states for all of them are presented. As a more prominent result, a new monoclinic structure has been stabilized for the potassium richer material that could correspond to the recently synthesized superconducting phase of K3Pentacene. Although energetically unfavorable, it is the only metallic candidate found to date.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑