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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 28, Number 1
BKCSDE 28(1)
January 20, 2007 

Theoretical Study of Scanning Probe Microscope Images of VTe2
Sung Soo Park, Jeeyoung Lee, Wang Ro Lee, Kee Hag Lee*
Scanning tunneling microscope image, Atomic force microscope image, IT-VTe2, Simulated STM and AFM images, Ab initio method
Ab initio periodic Hartree-Fock calculations with the full potential and minimum basis set are applied to interpretation of scanning tunneling microscope (STM) and atomic force microscope (AFM) images on 1TVTe2. Our results show that the simulated STM image shows asymmetry while the simulated AFM image shows the circular electron densities at the bright spots without asymmetry of electron density to agree with the experimental AFM image. The bright spots of both the STM and AFM images of VTe2 are associated with the surface Te atoms, while the patterns of bright spots of STM and AFM images are different.
81 - 84
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