Dilute Magnetic Semiconductor and Half-Metal Behaviors in 3d Transition-Metal Doped Black and Blue Phosphorenes: A First-Principles Study

Yu, Weiyang; Zhu, Zhili; Niu, Chunyao; Li, Chong; Cho, Jun-Hyung; Jia, Yu

doi:10.1186/s11671-016-1296-x

Cited by 115 publications

(50 citation statements)

References 66 publications

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“…In brief, an adatom is an atom that lies on a crystal surface and has significant effect on the structure and properties of the host crystal . Various types of materials such as metals, transition metals, noble‐metals, non‐metals and semiconductors can be considered for this purpose . The adsorption of adatoms on the phosphorene surface can change the electronic properties (especially conduction type) of phosphorene.…”

Section: Applicationsmentioning

confidence: 99%

Phosphorene and Phosphorene‐Based Materials – Prospects for Future Applications

2016

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Phosphorene, a single- or few-layered semiconductor material obtained from black phosphorus, has recently been introduced as a new member of the family of two-dimensional (2D) layered materials. Since its discovery, phosphorene has attracted significant attention, and due to its unique properties, is a promising material for many applications including transistors, batteries and photovoltaics (PV). However, based on the current progress in phosphorene production, it is clear that a lot remains to be explored before this material can be used for these applications. After providing a comprehensive overview of recent advancements in phosphorene synthesis, advantages and challenges of the currently available methods for phosphorene production are discussed. An overview of the research progress in the use of phosphorene for a wide range of applications is presented, with a focus on enabling important roles that phosphorene would play in next-generation PV cells. Roadmaps that have the potential to address some of the challenges in phosphorene research are examined because it is clear that the unprecedented chemical, physical and electronic properties of phosphorene and phosphorene-based materials are suitable for various applications, including photovoltaics.

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Section: Applicationsmentioning

confidence: 99%

Phosphorene and Phosphorene‐Based Materials – Prospects for Future Applications

2016

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“…For example, its fundamental bandgap around 2 eV can vanish in the presence of a single vacancy [24]. It is also notable that defects can enhance the stability of BlackP in air and transform it into a dilute magnetic semiconductor [26][27][28].…”

Section: Introductionmentioning

confidence: 99%

First-principles study of defects in blue phosphorene

Wang

You

Choi

2019

Mater. Res. Express

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Using first-principles density functional theory calculations, we investigate the energetics and electronic properties of Stone Wales and vacancy defects in blue phosphorene. Among these defects, the Stone Wales defect has the lowest formation energy of 1.49 eV. Single and double vacancy defects have much larger formation energies (2.35∼2.90 eV). All the defects induce mid-gap bands that are relatively flat, which indicates the localized nature of the defect states. Our spin-polarized calculations further show that a single vacancy defect exhibits local magnetic moments (1.0 μ B ), which can be attributed to the existence of an unpaired electron. Besides, we propose new types of defects with irregular buckling configurations. These new defects have even lower formation energies (1.01 and 1.30 eV). The present work may serve as an important guidance for designing and defect engineering of blue phosphorene-based devices.

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“…Since the adsorption energy of the transition-metal atoms of phosphorene is much larger than materials such as graphene, these magnetic atoms interact much stronger with phosphorene and as a result, it becomes more probable to turn the pristine phosphorene into a ferromagnetic or antiferromagnetic material due to the transfer of spin-polarized electrons from transition metal adatoms to the phosphorene [29]. The magnitude of the created magnetic moment depends on the metal species and the result can be tuned by the applied strain [28,30,[33][34][35]. Based on the calculations by Cai et.…”

Section: Introductionmentioning

confidence: 99%

Strongly anisotropic RKKY interaction in monolayer black phosphorus

Zare

Parhizgar

Asgari

2018

Journal of Magnetism and Magnetic Materials

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We theoretically study the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in twodimensional black phosphorus, phosphorene. The RKKY interaction enhances significantly for the low levels of hole doping owing to the nearly valence flat band. Remarkably, for the hole-doped phosphorene, the highest RKKY interaction occurs when two impurities are located along the zigzag direction and it tends to a minimum value with changing the direction from the zigzag to the armchair direction. We show that the interaction is highly anisotropic and the magnetic ground-state of two magnetic adatoms can be tuned by changing the rotational configuration of impurities. Owing to the anisotropic band dispersion, the oscillatory behavior with respect to the angle of the rotation is well-described by sin(2kFR), where the Fermi wavelength kF changes in different directions. We also find that the tail of the RKKY oscillations falls off as 1/R 2 at large distances. arXiv:1712.08905v1 [cond-mat.mes-hall]

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Dilute Magnetic Semiconductor and Half-Metal Behaviors in 3d Transition-Metal Doped Black and Blue Phosphorenes: A First-Principles Study

Cited by 115 publications

References 66 publications

Phosphorene and Phosphorene‐Based Materials – Prospects for Future Applications

Phosphorene and Phosphorene‐Based Materials – Prospects for Future Applications

First-principles study of defects in blue phosphorene

Strongly anisotropic RKKY interaction in monolayer black phosphorus

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