Prediction of bias-voltage-dependent corrugation reversal for STM images of bcc (110) surfaces: W(110), Ta(110), and Fe(110)

Heinze, Stefan; Blügel, Stefan; Pascal, R.; Bode, Matthias; Wiesendanger, R.

doi:10.1103/physrevb.58.16432

Cited by 98 publications

(103 citation statements)

References 33 publications

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“…Furthermore, the fact that the simulated corrugation amplitudes (before normalization) are on average about 33% of the experimental corrugation amplitudes is also consistent with the well-known fact that such atom superposition simulations do not achieve the corrugations found in experiment. 28,30 The results show that when the tip-sample spacing is small at low bias voltage, the magnitude of the corrugation is large; however, the corrugation of Mn1 is dominant due to the ILDOS of Mn1 dominating that of Mn2. When the bias voltage increases, the tip-sample distance increases, resulting in the decrease of the overall corrugation amplitude; however, the corrugations of Mn1 and Mn2 then become more similar since the ILDOS values for Mn1 and Mn2 have smaller relative difference.…”

Section: Quantitative Comparison Via Stm Line Profile Simulationmentioning

confidence: 88%

Atomic-scale structure of η-phase Mn3N2(010) studied by scanning tunneling microscopy and first-principles theory

Yang

Smith

et al. 2004

Surface Science

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Section: Quantitative Comparison Via Stm Line Profile Simulationmentioning

confidence: 88%

Atomic-scale structure of η-phase Mn3N2(010) studied by scanning tunneling microscopy and first-principles theory

Yang

Smith

et al. 2004

Surface Science

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“…The close relation of the surface state to that of the clean W͑110͒ surface 35 hints at the importance of the hybridization at the interface. As the ground state configuration of a Cr monolayer on W͑110͒ is also c(2ϫ2) antiferromagnetic, the presence of a similar surface state band is expected.…”

Section: Magnetic Imaging By Sp-stmmentioning

confidence: 99%

“…This localization at the two top layers of the whole film is closely related to the surface states present at the pure W͑110͒ surface. 35 The orbital character at the Mn atoms which are imaged as protrusions is d z 2 while it is d yz for the Mn atoms imaged as depressions. The corresponding SP-STM image is also presented in Fig.…”

Section: Magnetic Imaging By Sp-stmmentioning

confidence: 99%

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Structural, electronic, and magnetic properties of a Mn monolayer on W(110)

et al. 2002

Self Cite

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In this paper we establish a monolayer of Mn on W͑110͒ as a model system for two-dimensional itinerant antiferromagnetism. Combining scanning tunneling microscopy ͑STM͒, low-energy electron diffraction, and ab initio calculations performed with the full-potential linearized augmented plane wave method we have studied the structural, electronic, and magnetic properties of a Mn monolayer on W͑110͒. Our experimental results indicate that in spite of the huge tensile strain Mn grows pseudomorphically on W͑110͒ up to a thickness of three monolayers. Intermixing between the Mn overlayer and the W substrate can be excluded. Using these structural data as a starting point for the ab initio calculations of one monolayer Mn on W͑110͒ we conclude that ͑i͒ Mn is magnetic and exhibits a large magnetic moment of 3.32 B , ͑ii͒ the magnetic moments are arranged in a c(2ϫ2) antiferromagnetic order, ͑iii͒ the easy axis of the magnetization is in plane and points along the ͓11 0͔ direction, i.e., the direction along the long side of the ͑110͒ surface unit cell with a magnetocrystalline anisotropy energy of 1.3-1.5 meV, and ͑iv͒ the Mn-W interlayer distance is 2.14 Å. The calculated electronic structure of a Mn monolayer on W͑110͒ is compared with experimental scanning tunneling spectroscopy results. Several aspects are in nice agreement, but one cannot unambiguously deduce the magnetic structure from such a comparison. The proposed two-dimensional antiferromagnetic ground state of a Mn monolayer on W͑110͒ is directly verified by the use of spin-polarized STM ͑SP-STM͒ in the constant-current mode, and an in-plane easy magnetization axis could be confirmed using tips with different magnetization directions. We compare the measurements with theoretically determined SP-STM images calculated combining the Tersoff-Hamann model extended to SP-STM with the ab initio calculation, resulting in good agreement.

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“…5(a-e) was not possible until simulated STM images of HOPG were extracted from DFT calculations. 31 These calculations were performed within the local-density approximation without modeling the STM tip 32 and using projector augmented-wave potentials 33 as implemented in the plane wave basis set VASP 34 code. The graphite was modeled as a six-layer Bernal stack, using a 1 × 1 unit cell.…”

Section: Vertical Displacement Of Top Layer Of Graphite: Simulationmentioning

confidence: 99%

Electronic transition from graphite to graphene via controlled movement of the top layer with scanning tunneling microscopy

Yang

et al. 2012

Phys. Rev. B

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A series of measurements using a technique called electrostatic-manipulation scanning tunneling microscopy (EM-STM) were performed on a highly-oriented pyrolytic graphite surface. The electrostatic interaction between the STM tip and the sample can be tuned to produce both reversible and irreversible large-scale movement of the graphite surface. Under this influence, atomic-resolution STM images reveal that a continuous electronic transition from triangular symmetry, where only alternate atoms are imaged, to hexagonal symmetry can be systematically controlled. Density functional theory (DFT) calculations reveal that this transition can be related to vertical displacements of the top layer of graphite relative to the bulk. Evidence for horizontal shifts in the top layer of graphite is also presented. Excellent agreement is found between experimental STM images and those simulated using DFT.

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Prediction of bias-voltage-dependent corrugation reversal for STM images of bcc (110) surfaces: W(110), Ta(110), and Fe(110)

Cited by 98 publications

References 33 publications

Atomic-scale structure of η-phase Mn3N2(010) studied by scanning tunneling microscopy and first-principles theory

Atomic-scale structure of η-phase Mn3N2(010) studied by scanning tunneling microscopy and first-principles theory

Structural, electronic, and magnetic properties of a Mn monolayer on W(110)

Electronic transition from graphite to graphene via controlled movement of the top layer with scanning tunneling microscopy

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