Assessment of the van der Waals, Hubbard U parameter and spin‐orbit coupling corrections on the 2D / 3D structures from metal gold congeners clusters

2021 ◽  
Author(s):  
Maurício J. Piotrowski ◽  
Renato P. Orenha ◽  
Renato L. T. Parreira ◽  
Diego Guedes‐Sobrinho
Keyword(s):  
Van Der Waals ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
3D Structures ◽  
Hubbard U

scholarly journals Van Der Waals Heterostructures with Spin‐Orbit Coupling

2019 ◽  
Vol 532 (2) ◽  
pp. 1900344 ◽  
Author(s):  
Enrico Rossi ◽  
Christopher Triola
Keyword(s):  
Van Der Waals ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Van Der Waals Heterostructures

scholarly journals Accessing new magnetic regimes by tuning the ligand spin-orbit coupling in van der Waals magnets

2020 ◽  
Vol 6 (30) ◽  
pp. eabb9379 ◽  
Author(s):  
Thomas A. Tartaglia ◽  
Joseph N. Tang ◽  
Jose L. Lado ◽  
Faranak Bahrami ◽  
Mykola Abramchuk ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Ground States ◽  
Magnetic Coupling ◽  
Interlayer Coupling ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
New Directions ◽  
Low Dimensional ◽  
Interlayer Magnetic Coupling

Van der Waals (VdW) materials have opened new directions in the study of low dimensional magnetism. A largely unexplored arena is the intrinsic tuning of VdW magnets toward new ground states. Chromium trihalides provided the first such example with a change of interlayer magnetic coupling emerging upon exfoliation. Here, we take a different approach to engineer previously unknown ground states, not by exfoliation, but by tuning the spin-orbit coupling (SOC) of the nonmagnetic ligand atoms (Cl, Br, I). We synthesize a three-halide series, CrCl3 − x − yBrxIy, and map their magnetic properties as a function of Cl, Br, and I content. The resulting triangular phase diagrams unveil a frustrated regime near CrCl3. First-principles calculations confirm that the frustration is driven by a competition between the chromium and halide SOCs. Furthermore, we reveal a field-induced change of interlayer coupling in the bulk of CrCl3 − x − yBrxIy crystals at the same field as in the exfoliation experiments.

Spin–orbit coupling in I·CO2 and I·OCS van der Waals complexes: beyond the pseudo-diatomic approximation

1999 ◽  
Vol 313 (5-6) ◽  
pp. 812-819 ◽  
Author(s):  
Andrei Sanov ◽  
James Faeder ◽  
Robert Parson ◽  
W.Carl Lineberger
Keyword(s):  
Van Der Waals ◽  
Orbit Coupling ◽  
Van Der Waals Complexes ◽  
Spin Orbit Coupling ◽  
Spin Orbit

scholarly journals Evidence for anisotropic spin-triplet Andreev reflection at the 2D van der Waals ferromagnet/superconductor interface

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Ranran Cai ◽  
Yunyan Yao ◽  
Peng Lv ◽  
Yang Ma ◽  
Wenyu Xing ◽  
...  
Keyword(s):  
Bound States ◽  
Andreev Reflection ◽  
Van Der Waals ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Two Dimensional ◽  
S Wave ◽  
Fundamental Symmetry ◽  
Spin Triplet

AbstractFundamental symmetry breaking and relativistic spin–orbit coupling give rise to fascinating phenomena in quantum materials. Of particular interest are the interfaces between ferromagnets and common s-wave superconductors, where the emergent spin-orbit fields support elusive spin-triplet superconductivity, crucial for superconducting spintronics and topologically-protected Majorana bound states. Here, we report the observation of large magnetoresistances at the interface between a quasi-two-dimensional van der Waals ferromagnet Fe0.29TaS2 and a conventional s-wave superconductor NbN, which provides the possible experimental evidence for the spin-triplet Andreev reflection and induced spin-triplet superconductivity at ferromagnet/superconductor interface arising from Rashba spin-orbit coupling. The temperature, voltage, and interfacial barrier dependences of the magnetoresistance further support the induced spin-triplet superconductivity and spin-triplet Andreev reflection. This discovery, together with the impressive advances in two-dimensional van der Waals ferromagnets, opens an important opportunity to design and probe superconducting interfaces with exotic properties.

scholarly journals Strain and Spin-Orbit Coupling Engineering in Twisted WS2/Graphene Heterobilayer

Nanomaterials ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 2921
Author(s):  
Cyrine Ernandes ◽  
Lama Khalil ◽  
Hugo Henck ◽  
Meng-Qiang Zhao ◽  
Julien Chaste ◽  
...  
Keyword(s):  
Band Structure ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Twist Angle ◽  
Van Der Waals ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Electronic Band ◽  
Van Der Waals Materials

The strain in hybrid van der Waals heterostructures, made of two distinct two-dimensional van der Waals materials, offers an interesting handle on their corresponding electronic band structure. Such strain can be engineered by changing the relative crystallographic orientation between the constitutive monolayers, notably, the angular misorientation, also known as the “twist angle”. By combining angle-resolved photoemission spectroscopy with density functional theory calculations, we investigate here the band structure of the WS2/graphene heterobilayer for various twist angles. Despite the relatively weak coupling between WS2 and graphene, we demonstrate that the resulting strain quantitatively affects many electronic features of the WS2 monolayers, including the spin-orbit coupling strength. In particular, we show that the WS2 spin-orbit splitting of the valence band maximum at K can be tuned from 430 to 460 meV. Our findings open perspectives in controlling the band dispersion of van der Waals materials.

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