First-principles Dzyaloshinskii–Moriya interaction in a non-collinear framework

AbstractWe have derived an expression of the Dzyaloshinskii–Moriya interaction (DMI), where all the three components of the DMI vector can be calculated independently, for a general, non-collinear magnetic configuration. The formalism is implemented in a real space—linear muffin-tin orbital—atomic sphere approximation (RS-LMTO-ASA) method. We have chosen the Cr triangular trimer on Au(111) and Mn triangular trimers on Ag(111) and Au(111) surfaces as numerical examples. The results show that the DMI (module and direction) is drastically different between collinear and non-collinear states. Based on the relation between the spin and charge currents flowing in the system and their coupling to the non-collinear magnetic configuration of the triangular trimer, we demonstrate that the DMI interaction can be significant, even in the absence of spin-orbit coupling. This is shown to emanate from the non-collinear magnetic structure, that can induce significant spin and charge currents even with spin-orbit coupling is ignored.

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First-principles linear muffin-tin orbital atomic-sphere approximation calculations in real space

Physical Review B ◽

10.1103/physrevb.44.13283 ◽

1991 ◽

Vol 44 (24) ◽

pp. 13283-13290 ◽

Cited By ~ 66

Author(s):

Pascoal R. Peduto ◽

Sonia Frota-Pessa ◽

Michael S. Methfessel

Keyword(s):

First Principles ◽

Real Space ◽

Atomic Sphere ◽

Sphere Approximation ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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Dzyaloshinskii–Moriya interaction in noncentrosymmetric superlattices

npj Computational Materials ◽

10.1038/s41524-021-00592-8 ◽

2021 ◽

Vol 7 (1) ◽

Author(s):

Woo Seung Ham ◽

Abdul-Muizz Pradipto ◽

Kay Yakushiji ◽

Kwangsu Kim ◽

Sonny H. Rhim ◽

...

Keyword(s):

Heavy Metal ◽

Degrees Of Freedom ◽

Orbit Coupling ◽

Inversion Symmetry ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Band Formation ◽

Research Activities ◽

Moriya Interaction

AbstractDzyaloshinskii–Moriya interaction (DMI) is considered as one of the most important energies for specific chiral textures such as magnetic skyrmions. The keys of generating DMI are the absence of structural inversion symmetry and exchange energy with spin–orbit coupling. Therefore, a vast majority of research activities about DMI are mainly limited to heavy metal/ferromagnet bilayer systems, only focusing on their interfaces. Here, we report an asymmetric band formation in a superlattices (SL) which arises from inversion symmetry breaking in stacking order of atomic layers, implying the role of bulk-like contribution. Such bulk DMI is more than 300% larger than simple sum of interfacial contribution. Moreover, the asymmetric band is largely affected by strong spin–orbit coupling, showing crucial role of a heavy metal even in the non-interfacial origin of DMI. Our work provides more degrees of freedom to design chiral magnets for spintronics applications.

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Effect of Dipole Corrections and Spin Orbit Coupling on Tungsten Dichalcogenides Monolayer: A in Silico First Principles Study

2018 Open Innovations Conference (OI) ◽

10.1109/oi.2018.8535859 ◽

2018 ◽

Cited By ~ 1

Author(s):

Kingsley O Obodo ◽

Cecil N M Ouma ◽

Grebremedh Gebreyesus ◽

Joshua T Obodo ◽

Moritz Braun

Keyword(s):

First Principles ◽

In Silico ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

First Principles Study

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First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor $$\alpha $$-(BETS)$$_2 \hbox {I}_3$$

The European Physical Journal B ◽

10.1140/epjb/s10051-020-00038-y ◽

2021 ◽

Vol 94 (1) ◽

Cited By ~ 1

Author(s):

Takao Tsumuraya ◽

Yoshikazu Suzumura

Keyword(s):

First Principles ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Dirac Fermions ◽

Effective Hamiltonian ◽

Spin Orbit ◽

Two Dimensional ◽

First Principles Study ◽

Molecular Conductor

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Giant Dzyaloshinskii-Moriya interaction in Rashba superlattices

10.21203/rs.3.rs-39851/v1 ◽

2020 ◽

Author(s):

Woo-Seung Ham ◽

Abdul-Muizz Pradipto ◽

Kay Yakushiji ◽

Kwangsu Kim ◽

Sonny Rhim ◽

...

Keyword(s):

Heavy Metal ◽

Material Design ◽

Orbit Coupling ◽

Inversion Symmetry ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Band Formation ◽

Stacking Order ◽

Magnetic Skyrmions ◽

Moriya Interaction

Abstract Dzyaloshinskii-Moriya interaction (DMI) is considered as one of the most important energy for specific chiral texture such as magnetic skyrmions. The key of generating DMI is absence of structural inversion symmetry and exchange energy with spin-orbit coupling. Therefore, a vast majority of researches about DMI is mainly limited to heavy metal/ferromagnet bilayer systems, only focusing on their interfaces. Here, we report that asymmetric band formation in an artificial superlattice arises from inversion symmetry breaking in stacking order of atomic layers, resulting in bulk DMI. Such bulk DMI is more than 300% larger than simple sum of interfacial contribution. Moreover, the asymmetric band is largely affected by strong spin-orbit coupling, showing crucial role of a heavy metal even in the non-interfacial origin of DMI. Such Rashba superlattices can be a new class of material design for spintronics applications.

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