First-principles calculation of field emission from metal surfaces
First-principles calculation of field emission from metal surfaces
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金属表面场发射的第一性原理计算
DOI：
10.1103/physrevb.68.155422
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发表时间：
2003
影响因子：
3.7
通讯作者：
A. Liebsch
中科院分区：
文献类型：
--
作者：
T. Ohwaki;H. Ishida;A. Liebsch
在密度泛函理论中，利用Landauer-Buttiker方法对现实金属表面的场发射电流进行了评估。采用格林函数嵌入格式和全电位线性化增广平面波法，自一致地计算了表面区域的电子密度和有限电场引起的势垒。将这种形式应用于Au和Cu的（100）和（111）面，证明了场发射电流对接近费米能量的表面电子结构的敏感性。
The field-emission current from realistic metal surfaces is evaluated within the density-functional theory using the Landauer-Buttiker approach. The electronic density in the surface region and the potential barrier induced by the finite electric field are calculated self-consistently using a Green's-function embedding scheme and the full-potential linearized-augmented plane-wave method. Application of this formalism to the (100) and (111) faces of Au and Cu demonstrates the sensitivity of the field-emission current to the surface electronic structure close to the Fermi energy.