Photoinduced domain-type collective structural changes with interlayerσ-bonds in the visible region of graphite
Photoinduced domain-type collective structural changes with interlayerσ-bonds in the visible region of graphite
复制标题
石墨可见光区域层间σ键的光诱导域型集体结构变化
DOI：
10.1103/physrevb.79.054111
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发表时间：
2009
影响因子：
3.7
通讯作者：
K. Nasu
中科院分区：
文献类型：
--
作者：
H. Ohnishi;K. Nasu
我们从理论上研究了石墨可见光区域的光诱导域型结构变化。通过从头总能量计算，我们阐明了该域成核的绝热路径，其中原始石墨的层间距离收缩，并以一定的周期性屈曲模式诱导新的层间键。我们表明，少量可见光子的激发在能量上足以触发该域的形成，并且该域对于室温附近的热波动足够稳定。该域的电子态也显示出具有赝能隙，这是浸入原始半金属石墨中的绝缘体的特征。
We theoretically study the photoinduced domain-type structural changes in the visible region of graphite. By means of theab initiototal-energy calculation, we clarify the adiabatic path for the nucleation of this domain, wherein the interlayer distance of the original graphite is contracted and new interlayer-bonds are induced with a certain periodic buckling pattern. We show that an excitation by few visible photons is energetically enough to trigger the formation of this domain, and this domain is sufficiently stable against the thermal fluctuation at around room temperature. The electronic state of this domain is also shown to have a pseudogap, characteristic to an insulator immersed in the original semimetallic graphite.
影响因子：
18.1
作者：
K. Nasu
通讯作者：
K. Nasu