Patterning Graphitic C–N Sheets into a Kagome Lattice for Magnetic Materials

Li, Xiaowei; Zhou, Jian; Wang, Qian; Kawazoe, Y.; Jena, P.

doi:10.1021/jz3018804

Cited by 55 publications

(45 citation statements)

References 33 publications

(51 reference statements)

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“…We note that the magnetic moment remains in the high spin state in the low-temperature range and then drastically drops to near zero and the magnetic susceptibility appears a sharp peak at a critical temperature, showing a thermal-induced FM-to-PM phase transition. The Curie temperature is estimated to be around 675 K, which is higher than that of most previously studied 2D systems3435404142434445464748. This implies that ferromagnetism in the monolayer CrN is robust and can be detected at room temperature.…”

Section: Resultsmentioning

confidence: 73%

Robust ferromagnetism in monolayer chromium nitride

Zhang

Zhao

2014

Sci Rep

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Design and synthesis of two-dimensional (2D) materials with robust ferromagnetism and biocompatibility is highly desirable due to their potential applications in spintronics and biodevices. However, the hotly pursued 2D sheets including pristine graphene, monolayer BN, and layered transition metal dichalcogenides are nonmagnetic or weakly magnetic. Using biomimetic particle swarm optimization (PSO) technique combined with ab initio calculations we predict the existence of a 2D structure, a monolayer of rocksalt-structured CrN (100) surface, which is both ferromagnetic and biocompatible. Its dynamic, thermal and magnetic stabilities are confirmed by carrying out a variety of state-of-the-art theoretical calculations. Analyses of its band structure and density of states reveal that this material is half-metallic, and the origin of the ferromagnetism is due to p-d exchange interaction between the Cr and N atoms. We demonstrate that the displayed ferromagnetism is robust against thermal and mechanical perturbations. The corresponding Curie temperature is about 675 K which is higher than that of most previously studied 2D monolayers.

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Section: Resultsmentioning

confidence: 73%

Robust ferromagnetism in monolayer chromium nitride

Zhang

Zhao

2014

Sci Rep

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“…[1] Considerable research activities have been devoted to search for half metallic materials that can generate 100% spin-polarized currents at the Fermi level, making them suitable for the spintronic devices. [5][6][7][8][9][10] In analogy to graphene and BN, graphitic-C 3 N 4 (g-C 3 N 4 ) is of interest due to its promising potential applications in the field of photocatalysis. Monolayer materials have the particular dimensionality, compared with their bulk counterparts, and hence exhibit different properties, such as electricity, optics, magnetism and mechanics.…”

Section: Introductionmentioning

confidence: 99%

Half-metallic and magnetic properties in nonmagnetic element embedded graphitic carbon nitride sheets

Meng

Xiao

Wang

et al. 2015

Phys. Chem. Chem. Phys.

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We have investigated the structures, electronic structures and magnetic properties of the triazine-based g-C3N4 (gt-C3N4) monolayer doped with B, Al, and Cu atoms based on density functional theory using ab initio calculations. The B atom prefers to be situated at the center of the triazine ring, whereas the Al and Cu atoms tend to be located above the center of the triazine ring. The doping at the interstitial sites results in nonplanar structures which are thermodynamically stable. Each dopant atom induces a total magnetic moment of 1.0 μB which mainly arises from the pz orbitals because the n-type doping injects unpaired electrons into anti-π orbitals. The results obtained from the GGA-PBE and HSE06 schemes show that all the doped systems exhibit half-metallic behaviors. B- and Al-doped systems are at a ferromagnetic ground state, while the Cu-doped case is at an anti-ferromagnetic ground state. The long-range half-metallic ferromagnetic order is attributed to the p-p interactions. In particular, the estimated Curie temperature implies that the systems doped with B are potential candidates for spintronics applications in future.

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“…We have seen that each spin lattice model plays an important role in advancing the field, to provide a blueprint to guide the exploration and discovery of realistic materials with desired magnetic properties. On the other hand, a number of 2D materials possessing the geometry of Kagome lattice has been theoretically studied to realize Kagome bands [13][14][15][16]. However, to date experimental confirmation of Kagome bands has only been achieved in artificial photonic lattices [17], but remains allusive for real electronic materials.…”

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confidence: 99%

Kagome bands disguised in a coloring-triangle lattice

et al. 2019

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The Kagome bands hosting exotic quantum phases are generally and understandably pertained only to a Kagome lattice. This has severely hampered the research of Kagome physics due to the lack of real Kagome-lattice materials.Interestingly we discover that a coloring-triangle (CT) lattice, named after color-triangle tiling, hosts also Kagome bands. We demonstrate first theoretically the equivalency between the Kagome and CT lattice, and then computationally in photonic (waveguide lattice) and electronic (Au overlayer on electride Ca 2 N surface) systems by respective finite-element and first-principles calculations. The theory can be generalized to even distorted Kagome and CT lattices to exhibit ideal Kagome bands. Our findings open a new avenue to explore the alluding Kagome physics.

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Patterning Graphitic C–N Sheets into a Kagome Lattice for Magnetic Materials

Cited by 55 publications

References 33 publications

Robust ferromagnetism in monolayer chromium nitride

Robust ferromagnetism in monolayer chromium nitride

Half-metallic and magnetic properties in nonmagnetic element embedded graphitic carbon nitride sheets

Kagome bands disguised in a coloring-triangle lattice

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