Journal Article FZJ-2018-00906

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Nondegenerate valleys in the half-metallic ferromagnet Fe / WS 2

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2018
Inst. Woodbury, NY

Physical review / B 97(3), 035404 () [10.1103/PhysRevB.97.035404]

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Abstract: We present a first-principles investigation of the electronic properties of monolayer WS2 coated with an overlayer of Fe. Our ab initio calculations reveal that the system is a half-metallic ferromagnet with a gap of ∼1 eV for the majority spin channel. Furthermore, the combined effect of time-reversal symmetry breaking due to the magnetic Fe overlayer and the large spin-orbit coupling induced by W gives rise to nondegenerate K and K′ valleys. This has a tremendous impact on the excited-state properties induced by externally applied circularly polarized light. Our analysis demonstrates that the latter induces a singular hot-spot structure of the transition probability around the K and K′ valleys for right and left circular polarization, respectively. We trace back the emergence of this remarkable effect to the strong momentum dependent spin-noncollinearity of the valence band involved. As a main consequence, a strong valley-selective magnetic circular dichroism is obtained, making this system a prime candidate for spintronics and photonics applications.

Classification:

Contributing Institute(s):
  1. Quanten-Theorie der Materialien (IAS-1)
  2. Quanten-Theorie der Materialien (PGI-1)
  3. JARA-FIT (JARA-FIT)
  4. JARA - HPC (JARA-HPC)
Research Program(s):
  1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
  2. Calculation of quantum spin-fluctuations in nano-magnets (jias19_20161101) (jias19_20161101)

Appears in the scientific report 2018
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Institute Collections > PGI > PGI-1
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 Record created 2018-01-29, last modified 2023-04-26