Epitaxial antiperovskite/perovskite heterostructures for materials design

Quintela, Camilo X.; Song, Kyung; Shao, Ding-Fu; Xie, Lin; Nan, Tianxiang; Paudel, Tula R.; Campbell, Neil; Pan, Xiaoqing; Tybell, Thomas; Rzchowski, M. S.; Tsymbal, Evgeny Y.; Choi, Si‐Young; Eom, Chang‐Beom

doi:10.1126/sciadv.aba4017

Cited by 27 publications

(13 citation statements)

References 36 publications

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“…Because the symmetry is the trigger of the AHC in the antiferromagnetic antiperovskites, distortions and changes in symmetry operations could put a veil over the actual control mechanism and physical origins of this property in Mn 3 NiN. Moreover, the experimental epitaxial growth of thin films of antiperovskites onto perovskites, SrTiO 3 , has been achieved [32,33] demonstrating the feasibility of obtaining thin-films. Another experimental study was performed, achieving an epitaxial growth of Mn 3 NiN on the piezoelectric BaTiO 3 [34] showing a correlation between the strain and the AHC values.…”

Section: Introductionmentioning

confidence: 99%

Anomalous Hall conductivity control in Mn$_3$NiN antiperovskite by epitaxial strain along the kagome plane

Torres-Amaris¹,

Bautista-Hernández²,

González‐Hernández³

et al. 2022

Preprint

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Antiferromagnetic manganese-based nitride antiperovskites, such as Mn3NiN, hold a triangular frustrated magnetic ordering over their kagome lattice formed by the Mn atoms along the (111)plane. As such, frustration imposes a non-trivial interplay between the symmetric and asymmetric magnetic interactions, which can only reach equilibrium in a noncollinear magnetic configuration. Consequently, the associated electronic interactions and their possible tuning by external constraints, such as applied epitaxial strain, play a crucial role in defining the microscopic and macroscopic properties of such topological condensed matter systems. Thus, in the present work, we explored and explained the effect of the epitaxial strain imposed within the (111)-plane, in which the magnetic and crystallographic symmetry operations are kept fixed, and only the magnitude of the ionic and electronic interactions are tuned. We found a linear shifting in the energy of the band structure and a linear increase/decrease of the available states near the Fermi level with the applied strain. Concretely, the compression strain reduces the Mn-Mn distances in the (111) kagome plane but linearly increases the separation between the stacked kagome lattices and the available states near the Fermi level. Despite the linear controlling of the available states across the Fermi energy, the anomalous Hall conductivity shows a non-linear behavior where the σ111 conductivity nearly vanishes for tensile strain. On the other hand, σ111 fetches a maximum increase of 26% about the unstrained structure for a compression value close to −1.5%. This behavior found an explanation in the non-divergent Berry curvature within the kagome plane, which is increased for constraining but significantly reduced for expansion strain values. Our results indicate a distinct correlation between the anomalous Hall conductivity and the Berry curvature along the (111)-plane as a function of the strain. The Berry curvature acts as the source and the strain as the control mechanism of this anomalous transport phenomenon.

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Section: Introductionmentioning

confidence: 99%

Anomalous Hall conductivity control in Mn$_3$NiN antiperovskite by epitaxial strain along the kagome plane

Torres-Amaris¹,

Bautista-Hernández²,

González‐Hernández³

et al. 2022

Preprint

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“…227 Antiperovskite materials are intermetallic compounds with a perovskite crystal structure but instead, the anion and cation positions are interchanged in the unit cell. 228 Transition metals and nitrogen or carbon can form antiperovskite structures at suitable compositions (AXM 3 ; A=Cu, Al, Zn, etc. ; X=N or C; M=Ni, Fe, Co, etc.…”

Section: Non-noble Metal-based Intermetallicsmentioning

confidence: 99%

Perspective on intermetallics towards efficient electrocatalytic water-splitting

2021

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“…However, in numerous cases, structural models proposed by simple electronic energy calculations have failed to explain certain experimental observations, such as intermixing between GeTe/Sb2Te3 superlattices relevant to the resistance change of iPCM 52 and interface stoichiometry at epitaxial antiperovskite/perovskite heterostructures. 53 If an interfacial structure can successfully be described at the atomic scale by considering the contribution of vibrational energy, control of interfacial coupling will be greatly facilitated, paving the way for unprecedented material design.…”

Section: 𝑣𝑣𝑣𝑣𝑣𝑣mentioning

confidence: 99%

InterPhon: Ab initio interface phonon calculations within a 3D electronic structure framework

Yeu

Han

et al. 2021

Computer Physics Communications

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Epitaxial antiperovskite/perovskite heterostructures for materials design

Cited by 27 publications

References 36 publications

Anomalous Hall conductivity control in Mn$_3$NiN antiperovskite by epitaxial strain along the kagome plane

Anomalous Hall conductivity control in Mn$_3$NiN antiperovskite by epitaxial strain along the kagome plane

Perspective on intermetallics towards efficient electrocatalytic water-splitting

InterPhon: Ab initio interface phonon calculations within a 3D electronic structure framework

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