2019
DOI: 10.1002/pssr.201900509
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CrAs Monolayer: Low Buckled 2D Half‐Metal Ferromagnet

Abstract: Ab-initio calculations based on density functional theory (DFT) are performed to study the structural, electronic, and magnetic properties of two-dimensional (2D) free-standing honeycomb CrAs. We show that CrAs has low buckled stable structure. Magnetic CrAs has larger buckling than non-magnetic CrAs. 2D-CrAs is a ferromagnetic semiconductor for lattice constant a ≤ 3.71Å, and above this lattice constant CrAs is a half-metal ferromagnet. 2D-CrAs is shown to be half-metal ferromagnetic with magnetic moment of 3… Show more

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Cited by 7 publications
(2 citation statements)
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“…In addition, the size of the insulating gap is an important evaluation criterion for half metals. As shown in figure 3(b), we can observe that the insulating gap in the EuOBr monolayer can be as large as 4.384 eV, which is much larger than typical 2D half metals found so far including FeI 2 , CrAs, AgN, FeCl 3 , Cr 2 O 3 [12,17,[52][53][54][55][56][57][58][59]. In the spin-up channel, we can notice that there are several band crossings near the Fermi energy level (see figure 3(a)).…”
Section: Topological Band Structurementioning
confidence: 70%
“…In addition, the size of the insulating gap is an important evaluation criterion for half metals. As shown in figure 3(b), we can observe that the insulating gap in the EuOBr monolayer can be as large as 4.384 eV, which is much larger than typical 2D half metals found so far including FeI 2 , CrAs, AgN, FeCl 3 , Cr 2 O 3 [12,17,[52][53][54][55][56][57][58][59]. In the spin-up channel, we can notice that there are several band crossings near the Fermi energy level (see figure 3(a)).…”
Section: Topological Band Structurementioning
confidence: 70%
“…Recently, ferromagnetism has been predicted in 2D chromium pnictides [41,62,63]. This was motivating us to consider another member of this family, namely, hexagonal monolayer CrBi.…”
Section: Introductionmentioning
confidence: 99%