Electrical contacts to monolayer black phosphorus: A first-principles investigation

Gong, Kecheng; Zhang, Lei; Ji, Wei; Guo, Hong

doi:10.1103/physrevb.90.125441

Cited by 124 publications

(108 citation statements)

References 41 publications

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“…We found a work function of 5.03 eV for a pristine phosphorene layer and this was consistent with recent calculation. 32 This calculated value was underestimated approximately by ∼5% as compared with the experimental result (5.3 eV). 21 The work function in each case was also presented Table 2.…”

Section: Dipole Moment and Work Functionmentioning

confidence: 83%

First-Principles Study of Metal Adatom Adsorption on Black Phosphorene

2015

J. Phys. Chem. C

219

134

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We have investigated the structure, adsorption energy, growth mode, diffusion barrier, magnetic property, dipole moment, and work function of Li, Na, Mg, Al, Cr, Fe, Co, Ni, Mo, Pd, Pt, and Au adsorption on phosphorene using firstprinciples density-functional theory. We have found that all the adatoms favor the hollow site of hexagonal. It seems that the Mg, Cr, Mo, and Au adatoms may have three-dimensional (3D) growth mode on phosphorene substrate, whereas all other adatoms prefer two-dimensional (2D) growth mode. The metallic state is observed in Li, Na, Al, and Cr doped systems, and the Cr doped phosphorene displays magnetic state. The other eight metal doped systems still preserve semiconducting band gap. Among them, we obtained spin polarized band structures in Fe, Co, and Au doped systems with a band gap. In particular, the Fe doped phosphorene can be a potential candidate for dilute magnetic semiconductor material because no clustering problem will take place. We found a variation in dipole moment and work functions in each impurity doped layer. Both dipole moment and the shift of the Fermi level could account for the change of work function semiquantitatively.

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Section: Dipole Moment and Work Functionmentioning

confidence: 83%

First-Principles Study of Metal Adatom Adsorption on Black Phosphorene

2015

J. Phys. Chem. C

219

134

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“…Copper (Cu) adatoms can also act as electron donor and n‐dope BP, which greatly shifts the Fermi level of BP toward the conduction band and modulates the polarity of BP channel from p‐type to n‐type . Also, metal Cu is proposed to make excellent contact with BP . However, the Cu contact for BP FETs has not been experimentally demonstrated.…”

Section: Introductionmentioning

confidence: 99%

Interstitial copper‐doped edge contact for n‐type carrier transport in black phosphorus

Lin

Wang

Guo

et al. 2019

InfoMat

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Black phosphorus (BP) has been shown as a promising two‐dimensional (2D) material for electronic devices owing to its high carrier mobility. To realize complementary electronic circuits with 2D materials, it is important to fabricate both n‐type and p‐type transistors with the same channel material. By engineering the contact region with copper (Cu)‐doped BP, here we demonstrate an n‐type carrier transport in BP field‐effect transistors (FETs), which usually exhibit strongly p‐type characteristics. Cu metal atoms are found to severely penetrate into the BP flakes, which forms interstitial Cu (Cuint)‐doped edge contact and facilitates the electron transport in BP. Our BP FETs in back‐gated configuration exhibit n‐type dominant characteristics with a high electron mobility of ~ 138 cm2 V−1 s−1 at room temperature. The Schottky barrier height for electrons is relatively low because of the edge contact between Cuint‐doped BP and pristine BP channel. The contact doping of BP by highly mobile Cu atoms gives rise to n‐type transport property of BP FETs. Furthermore, we demonstrate a p‐n junction on the same BP flake with asymmetric contact. This strategy on contact engineering can be further extended to other 2D materials.

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“…Average electron density (⟨ ρ l ⟩) and effective potential (⟨ V ⟩) along y direction are calculated using a slab model with periodic boundaries along all three directions. As shown in Figure (b‐d), We define that the barrier height is the difference of the highest averaged potential at the interface and the highest averaged potential at the metal surface . The tunneling probability can be estimated based on

P_{T B} = \exp true(- 2 w_{normalT normalB} \sqrt{2 m Φ_{normalT normalB}} / ℏ true)

, where m b is the electron effective mass,

ℏ

is the reduced Planck's constant .…”

Section: Summary Of Calculated Interface Distance D Average Electronmentioning

confidence: 99%

Monolayer–Trilayer Lateral Heterostructure Based Antimonene Field Effect Transistor: Better Contact and High On/Off Ratios

Chen

Yang

Zhou

et al. 2018

Physica Rapid Research Ltrs

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Inspired by the unique character of the semiconductor‐to‐metal transition from monolayer to trilayer antimonene, we built a monolayer–trilayer lateral heterostructure based field effect transistor (FET). Low tunneling barrier and Schottky barrier are achieved with trilayer antimonene electrodes compared with promising two‐dimensional contact material graphene and metal aluminum. Device performance is calculated accurately using the density functional theory (DFT) and nonequilibrium Green's functions (NEGF). The on/off ratio is 4.87 × 108 with the gate length 10.0 nm. Even if the gate length decreases to 5.0 nm, the on/off ratio is still as high as 1.06 × 106. The lowest power supply voltage (Vdd = 0.76 V) at Vds = 0.6 V to switch “on” and “off” is very close to the requirement of 0.72 V. In addition, the on‐current can be enhanced by a factor of six and on/off ratio is simultaneously lifted up through hydrogen passivation, which offers a route to further optimize the device performance. Low off‐current and high on/off current ratio along with high air stability make the monolayer–trilayer lateral heterostructure based antimonene FET a potential candidate for future low power device applications.

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Electrical contacts to monolayer black phosphorus: A first-principles investigation

Cited by 124 publications

References 41 publications

First-Principles Study of Metal Adatom Adsorption on Black Phosphorene

First-Principles Study of Metal Adatom Adsorption on Black Phosphorene

Interstitial copper‐doped edge contact for n‐type carrier transport in black phosphorus

Monolayer–Trilayer Lateral Heterostructure Based Antimonene Field Effect Transistor: Better Contact and High On/Off Ratios

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