TY - JOUR
T1 - Scanning tunneling microscopy image of transition-metal-dichalcogenide surfaces
AU - Kobayashi, Katsuyoshi
AU - Yamauchi, Jun
PY - 1996/6/20
Y1 - 1996/6/20
N2 - Scanning tunneling microscopy (STM) images of transition-metal-dichalcogenide (TMD) surfaces are studied theoretically. First, STM images of the MoS2 surface are calculated by the first-principles method with a plane-wave basis, where it has not been settled whether the first or second layer is observed in STM. It is determined theoretically that the bright spots observed in the experimental STM images correspond to the S atoms of the outermost layer. Second, the superstructures observed in the STM images of the heteroepitaxial TMDs such as the MoSe2/MoS2 surface are investigated. It is found that the effect of the atomic displacement is an important factor in explaining the features of the superstructures.
AB - Scanning tunneling microscopy (STM) images of transition-metal-dichalcogenide (TMD) surfaces are studied theoretically. First, STM images of the MoS2 surface are calculated by the first-principles method with a plane-wave basis, where it has not been settled whether the first or second layer is observed in STM. It is determined theoretically that the bright spots observed in the experimental STM images correspond to the S atoms of the outermost layer. Second, the superstructures observed in the STM images of the heteroepitaxial TMDs such as the MoSe2/MoS2 surface are investigated. It is found that the effect of the atomic displacement is an important factor in explaining the features of the superstructures.
KW - Density functional calculations
KW - Molybdenum
KW - Scanning tunneling microscopy
KW - Semiconducting surfaces
KW - Sulphides
KW - Surface electronic phenomena
KW - Tunneling
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U2 - 10.1016/0039-6028(96)00173-2
DO - 10.1016/0039-6028(96)00173-2
M3 - Article
AN - SCOPUS:0030165299
VL - 357-358
SP - 317
EP - 321
JO - Surface Science
JF - Surface Science
SN - 0039-6028
ER -