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Volumn 80, Issue 15, 2009, Pages

Two-dimensional metal-organic coordination networks of Mn-7,7,8,8- tetracyanoquinodimethane assembled on Cu(100): Structural, electronic, and magnetic properties

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EID: 72449197679     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.155458     Document Type: Article
Times cited : (40)

References (38)
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    • We simulated STM images by using the GREEN code (Ref.), which is based on a Green's function representation and employs a linear combination of atomic orbitals. The extended Hückel theory (EHT) was used to compose the semiempirical Hamiltonian. First we fit the EHT parameters to reproduce the DFT DOS of the sample and tip. Then an infinite system composed of two semi-infinite blocks for the tip and the sample was constructed, using the parameterized EHT to simulate the STM image. The W tip has a pyramidal shape with the W(110) plane parallel to the surface, although the exact tip shape and composition used in the experiment are not known.
    • We simulated STM images by using the GREEN code (Ref.), which is based on a Green's function representation and employs a linear combination of atomic orbitals. The extended Hückel theory (EHT) was used to compose the semiempirical Hamiltonian. First we fit the EHT parameters to reproduce the DFT DOS of the sample and tip. Then an infinite system composed of two semi-infinite blocks for the tip and the sample was constructed, using the parameterized EHT to simulate the STM image. The W tip has a pyramidal shape with the W(110) plane parallel to the surface, although the exact tip shape and composition used in the experiment are not known.
  • 32
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    • We also tried to use Cu as the tip material since it is possible that the extreme tip atom is a copper atom. However, the simulated STM images are similar to the W tip results.
    • We also tried to use Cu as the tip material since it is possible that the extreme tip atom is a copper atom. However, the simulated STM images are similar to the W tip results.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.