Tunable magnetic spin ordering in MoN2 monolayer by structural deformation

Li, Wanxue; Guo, Chunsheng; Xin, Xiaojun; Shi, Xingqiang; Zhao, Yong

doi:10.1016/j.apsusc.2019.05.031

Cited by 7 publications

(4 citation statements)

References 47 publications

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“…7 These studies opened a door to study magnetic states in N-based materials. [8][9][10] Further studies showed that the 1T structural phase could be stable beside the 1H structural phase. 11,12 Consequently, an emerging class of 2D materials, transition-metal dinitrides with the 1H/1T structural phase were proposed, where rich magnetic states can be found.…”

mentioning

confidence: 99%

Monolayer 1T-LaN2: Dirac spin-gapless semiconductor of p-state and Chern insulator with a high Chern number

Kong

Chen

et al. 2020

Applied Physics Letters

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Two-dimensional transition-metal dinitrides have attracted considerable attention in recent years due to these rich magnetic properties. Here, we focus on the rare-earth-metal elements and propose a monolayer of lanthanum dinitride with a 1T structural phase, 1T-LaN2. Using first-principles calculations, we systematically investigated the structure, stability, magnetism, and band structure of this material. It is a flexible and stable monolayer exhibiting a low lattice thermal conductivity, which is promising for future thermoelectric devices. The monolayer shows ferromagnetic ground state with a spin-polarized band structure. Two linear spin-polarized bands cross at the Fermi level forming a Dirac point, which is formed by the p atomic orbitals of the N atoms, indicating that monolayer 1T-LaN2 is a Dirac spin-gapless semiconductor of p-state. When the spin-orbit coupling is taken into account, a large nontrivial indirect

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mentioning

confidence: 99%

Monolayer 1T-LaN2: Dirac spin-gapless semiconductor of p-state and Chern insulator with a high Chern number

Kong

Chen

et al. 2020

Applied Physics Letters

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“…Meanwhile, the magnetic moment of H-MoN 2 is shifted from the N 2p-orbitals to the Mo 4d-orbitals, along with the transformation of the magnetic coupling from FM to AFM [149]. Moreover, its magnetic spin-ordering can also be tuned by structural deformation and Mo vacancy [150,151]. H-MoN 2 was also predicted to be an appealing 2D electrode material for alkalimetal-ion batteries with a relatively high storagecapacity [152].…”

Section: D Tmnmentioning

confidence: 99%

Structures, properties and applications of two-dimensional metal nitrides: from nitride MXene to other metal nitrides

et al. 2022

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The two-dimensional (2D) metal nitrides (MNs), including group IIA nitrides, group IIIA nitrides, nitride MXene and other transition metal nitrides, exhibit unique electronic and magnetic characteristics. The 2D MNs have been widely studied by experimental and computational approaches and some of them have been synthesized. Herein we systematically reviewed the structural, electronic, thermal, mechanical, magnetic and optical properties of the 2D MNs that have been reported in recent years. Based on their unique properties, the related applications of 2D MNs on fields like electronics, spintronics, sensing, catalysis, and energy storage were discusszed. Additionally, the lattice structures and synthetic routes were also summarized as supplements of the research progress of 2D MNs family. Furthermore, we provided insights into the research prospects and future efforts that need to be made on 2D MNs.

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“…4,5 A mixed H-and T-phase structure, that is the Mphase, exists in the group-V TMDNs, which accounts for the semiconducting behavior of the TaN 2 system. 6 These diverse geometrical structures bring versatile electronic and magnetic properties into the TMDN nanosheets, which exhibit a strainmodulated magnetism, 10,11 doping-induced half-metallicity, 4,7 high capacities for alkali metals, 8,12 as well as other peculiar behaviors and applications.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Layered transition-metal dinitrides (TMDNs) are the recently discovered two-dimensional (2D) nanosheets, which have been regarded as the cousins of transition-metal dichalcogenides (TMDs). − Because of the lesser valence electrons of N atoms than the S ones, the transition metals will adopt a higher oxidation state in the TMDN system, which leads to different electronic properties from the TMD ones. , In addition to the common MoS 2 -like prismatic and trigonal prismatic (H- and T-phase) structures, the non-MoS 2 -like geometries are also reported in the TMDN nanosheets. − For example, a tetragonal structure (tetra-phase) is proposed for the MoN 2 and ReN 2 nanosheets, which is more stable than the H- and T-phase. , A mixed H- and T-phase structure, that is the M-phase, exists in the group-V TMDNs, which accounts for the semiconducting behavior of the TaN 2 system . These diverse geometrical structures bring versatile electronic and magnetic properties into the TMDN nanosheets, which exhibit a strain-modulated magnetism, , doping-induced half-metallicity, , high capacities for alkali metals, , as well as other peculiar behaviors and applications.…”

Section: Introductionmentioning

confidence: 99%

Large-Gap Quantum Spin Hall States in the Bilayer Hexagonal Structure of Rhenium and Technetium Dinitrides: A First-Principles Study

Wang

Ding

2019

J. Phys. Chem. C

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Layered transition-metal dinitrides are the recently proposed cousins of transition-metal dichalcogenides, which exhibit extraordinary electronic and magnetic properties. In this work, through first-principles calculations, we have identified the lowest energy geometry of the ReN2 nanosheet, which is a bilayer hexagonal structure (BHS) akin to the MoN2 system. Such a BHS-ReN2 nanosheet possesses robust dynamical, thermal, and mechanical stabilities at the free-standing state. Interestingly, without spin–orbit coupling (soc), this BHS-ReN2 system exhibits a semimetallic feature with a d-character Dirac cone, for which a band gap is opened at the Dirac point when the soc effect is taken into account. As a result, the BHS-ReN2 nanosheet becomes a quantum spin Hall (QSH) insulator in the presence of soc, whose bulk gap reaches up to 384 meV, sufficiently large for the room-temperature QSH effect. The nontrivial topological feature is characterized by a Z 2 = 1 invariant and a pair of topologically protected edge states in the BHS-ReN2 nanosheet, and such a topological feature is robust against tensile strain. In addition to ReN2, the TcN2 nanosheet, another group VIIB dinitride, also has a stable BHS-phase structure and behaves as a QSH insulator with a sizeable bulk gap of 274 meV. Our study demonstrates that large-gap QSH states exist in the highly stable structure of ReN2 and TcN2 nanosheets, which will be superior candidate materials for the QSH-based devices and applications.

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Tunable magnetic spin ordering in MoN2 monolayer by structural deformation

Cited by 7 publications

References 47 publications

Monolayer 1T-LaN2: Dirac spin-gapless semiconductor of p-state and Chern insulator with a high Chern number

Monolayer 1T-LaN2: Dirac spin-gapless semiconductor of p-state and Chern insulator with a high Chern number

Structures, properties and applications of two-dimensional metal nitrides: from nitride MXene to other metal nitrides

Large-Gap Quantum Spin Hall States in the Bilayer Hexagonal Structure of Rhenium and Technetium Dinitrides: A First-Principles Study

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