Abstract:We present high efficiency spin filtering behaviour in magnetically rendered phosphorene, doped with various 3d block elements. A phase diagram was obtained depicting the presence of various electronic and magnetic states.
“…In addition, van der Waals heterostructure of these 2D materials can be employed to generate engineered properties for desired applications. 12 The presence of spontaneous magnetism in 2D materials could effectively pave its way in spintronics, 13 which was however limited to the observation of edge-magnetism or vacancy/doping induced magnetism, 14 localised in nature. To establish a long range magnetic ordering (LRMO) in two-dimension, anisotropy is required to establish an energy gap in the spin wave spectrum, overcoming the thermally induced magnon excitation, as theoretically predicted through Onsager's model 15 and Mermin–Wagner–Hohenberg theorem.…”
In the presence of strain, high temperature magnetic ordering in Cr2Ge2Te6 was observed with electronic phase crossover from semiconducting to half-metallic state. On coupling strain and electric field, the Curie temperature reaches 331 K.
“…In addition, van der Waals heterostructure of these 2D materials can be employed to generate engineered properties for desired applications. 12 The presence of spontaneous magnetism in 2D materials could effectively pave its way in spintronics, 13 which was however limited to the observation of edge-magnetism or vacancy/doping induced magnetism, 14 localised in nature. To establish a long range magnetic ordering (LRMO) in two-dimension, anisotropy is required to establish an energy gap in the spin wave spectrum, overcoming the thermally induced magnon excitation, as theoretically predicted through Onsager's model 15 and Mermin–Wagner–Hohenberg theorem.…”
In the presence of strain, high temperature magnetic ordering in Cr2Ge2Te6 was observed with electronic phase crossover from semiconducting to half-metallic state. On coupling strain and electric field, the Curie temperature reaches 331 K.
“…The increase in Δ3 is understood by seeing that the CBM has higher energy in LL-Cys than in the OH-functionalized system, 0.77 eV for the former against 0.61 eV for the latter (see Figure S6). Kumari et al reported magnetic properties of phosphorene after doping with different metals from the 3D block and, between the different resulting classes of magnetic materials, they found that phosphorene develops in-gap states with values of Δ2 and Δ3 suited enough for potential applications as BMS …”
Section: Results
and Discussionmentioning
confidence: 99%
“…This represents an alternative approach to induce a magnetic structure in a nonmagnetic system without doping with metallic atoms. 52 In Figure 2d, we show the spin-resolved electronic band structure of the 1-OH system. The first feature to notice is the appearance of in-gap electronic bands with weak dispersion, a result of the altered local structure of the phosphorene layer at the functionalization sites, which effectively acts as a nearly localized structural defect.…”
Functionalization of two-dimensional (2D) materials represents an efficient strategy to enhance their versatility, either for improving their stability under specific ambient conditions or for tuning their physical properties in a potentially relevant technological direction. In this study, we investigate with spin-polarized density-functional theory the electronic properties of phosphorene monolayers functionalized with hydroxyl and cysteine molecules. We show that functionalization leads not only to electronic states within the semiconducting gap but, more interestingly, to local magnetism as well. In consequence, ferro-or anti-ferromagnetic ground states can be obtained in dependence of molecular coverage, lattice direction (zigzag vs armchair) of the molecular adsorption, and, in the case of cysteine, molecular chirality. Based on an analysis of the obtained spin-dependent band structures, we propose to view functionalized phosphorene monolayers as bipolar magnetic semiconductors (BMS). In particular, the electronic parameters used to characterize BMS are shown to become increasingly distinct with increasing surface coverage. This suggests a possible route to design BMS via targeted molecular functionalization.
“…which have sparked their immense applications in diverse fields of electronics, optics, optoelectronics and memory devices [1][2][3] etc. Most of these materials are non-magnetic and according to Mermin-Wagner theorem [4,5], the presence of long-range magnetic ordering in 2D materials is not possible due to thermal fluctuations [6,7]. Despite this, recently several intrinsically magnetic 2D materials have been discovered [8] with finite critical temperature ( T c ), like CrI 3 [9], Cr 2 Ge 2 Se 6 [10], and Cr 2 Ge 2 Te 6 [11,12].…”
In the post graphene era, the discovery of magnetism in two-dimensional (2D) intrinsic nanomagnets has opened up exciting possibilities for low-dimensional spintronics. In this article, we have reported three new 2D Janus nanomagnets VBrCl 2 , VBrI 2 , and VClBrI for the first time. First-principles based density functional theory calculations reveal that these monolayers are intrinsically magnetic with indirect band gap semiconducting properties and further the magnetic and electronic properties of these monolayers are enhanced with the application of biaxial strain and electric field. We observe interesting electronic and magnetic phase transitions, tunable band gap, and supreme enhancement of the Curie temperature (~ 686%). Large magnetic anisotropic energy (MAE) with high magnetic moment and tunable band gap property make these Janus materials useful candidates for future information storage, optoelectronics, and 2D spin circuit development.
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