2014
DOI: 10.1016/j.apsusc.2014.02.143
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STM contrast inversion of the Fe(110) surface

Abstract: We extend the orbital-dependent electron tunneling model implemented within the threedimensional (3D) Wentzel-Kramers-Brillouin (WKB) atom-superposition approach to simulate spin-polarized scanning tunneling microscopy (SP-STM) above magnetic surfaces. The tunneling model is based on the electronic structure data of the magnetic tip and surface obtained from first principles. Applying our method, we analyze the orbital contributions to the tunneling current, and study the nature of atomic contrast reversals oc… Show more

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Cited by 13 publications
(24 citation statements)
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“…Instead, the spatial dependence of the local atomic spin quantization axes of the noncollinear magnetic surface is allowed. For simplicity, we omit the orbital dependence [58,60] of the electronic structure taken into account in Ref. 55, and the low bias limit is employed.…”
Section: A 3d-wkb Theory Of Combined Electron Charge and Spin Tunnelingmentioning
confidence: 99%
“…Instead, the spatial dependence of the local atomic spin quantization axes of the noncollinear magnetic surface is allowed. For simplicity, we omit the orbital dependence [58,60] of the electronic structure taken into account in Ref. 55, and the low bias limit is employed.…”
Section: A 3d-wkb Theory Of Combined Electron Charge and Spin Tunnelingmentioning
confidence: 99%
“…Recently, the 3D-WKB method was successfully applied in a number of theoretical [15][16][17][18][19] and combined experimental-theoretical investigations [20].…”
Section: Methodsmentioning
confidence: 99%
“…The main advantage of using the density matrix formalism is that electronic and spin struc- within the same theoretical framework [24]. The charge (Ĩ) and vector spin (T) transport of the electron tunneling transition between the ath sample surface atom and the tip apex atom at energy E can be represented by the following traces in spin space: Since e S · e T = cos(φ) with φ the angle between the spin quantization axes of the sample surface and the tip, the formula of the charge transport (conductance) is formally consistent with the spin-polarized Tersoff-Hamann model [35], except the fact that it explicitly includes the electronic structure of the tip apex [24,31]:…”
Section: Port In Stmmentioning
confidence: 99%
“…More details of the Fe(001) tip model can be found in Ref. [31]. The orbital-decomposed electronic structure data projected to the tip apex atom, n T τ (E) and m T τ (E), have been calculated using a 13 × 13 × 3 Monkhorst-Pack k-point grid.…”
Section: Computational Detailsmentioning
confidence: 99%