Simulation of spin-polarized scanning tunneling microscopy on complex
magnetic surfaces: Case of a Cr monolayer on Ag(111)
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by
Krisztián Palotás, Werner A. Hofer, László Szunyogh
2011
Abstract
We propose an atom-superposition-based method for simulating spin-polarized
scanning tunneling microscopy (SP-STM) from first principles. Our approach
provides bias dependent STM images in high spatial resolution, with the
capability of using either constant current or constant height modes of STM. In
addition, topographic and magnetic contributions can clearly be distinguished,
which are directly comparable to results of SP-STM experiments in the
differential magnetic mode. Advantages of the proposed method are that it is
computationally cheap, it is easy to parallelize, and it can employ the results
of any ab initio electronic structure code. Its capabilities are illustrated
for the prototype frustrated hexagonal antiferromagnetic system, Cr monolayer
on Ag(111) in a noncollinear magnetic 120^∘ Néel state. We show
evidence that the magnetic contrast is sensitive to the tip electronic
structure, and this contrast can be reversed depending on the bias voltage.
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