Simulation of spin-polarized scanning tunneling microscopy on complex magnetic surfaces: Case of a Cr monolayer on Ag(111)

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 $120^{\circ }$ 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.

28 pages manuscript, 1 table, 5 figures

References in corpus (2)

• First principles calculation of spin-interactions and magnetic ground states of Cr trimers on Au(111)
• Theoretical study of the role of the tip in enhancing the sensitivity of differential conductance tunneling spectroscopy on magnetic surfaces

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• Magnetic anisotropy and chirality of frustrated Cr nanostructures on Au(111)
• High-resolution tunneling spin transport characteristics of topologically distinct magnetic skyrmionic textures from theoretical calculations
• Energy-resolved tip-orbital fingerprint in scanning tunneling spectroscopy based on the revised Chen's derivative rule