Density functional theory study on the STM images of W(110) p(1×1) surface(W(110)表面反常STM图像的密度泛函理论研究)
采用密度泛函理论的第一性原理方法研究了W(110) p(1×1)表面的STM图像对于衬底偏压的依赖性.计算结果表明：在衬底负偏压条件下, W(110) p(1×1)表面的钨原子在STM图像中显示为暗点而非通常在其它过渡金属中观察到的亮斑,并且暗点随偏压绝对值的减小而逐渐弱化.计算还模拟了恒流模式的STM测量时针尖的起伏变化.当衬底偏压在0~100 meV区间时,针尖起伏高度最为明显(~0.006 nm).在更高的正偏压下, STM的针尖起伏随偏压改变而线性变化(0.001 5~0.003 5 nm).这些结果说明了W(110) p(1×1)表面是非常平坦的.由于钨原子的价电子为5d态,和3d电...
| Main Authors: | , , |
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| Format: | Article |
| Language: | zho |
| Published: |
Zhejiang University Press
2010-01-01
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| Series: | Zhejiang Daxue xuebao. Lixue ban |
| Subjects: | |
| Online Access: | https://doi.org/10.3785/j.issn.1008-9497.2010.01.012 |