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1 article(s) from Wang, Ke

Electronic and magnetic properties of doped black phosphorene with concentration dependence

Ke Wang,
Hai Wang,
Min Zhang,
Yan Liu and
Wei Zhao

Beilstein J. Nanotechnol. 2019, 10, 993–1001, doi:10.3762/bjnano.10.100

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Figure 1: (a) Deviation of in-plane and out-plane bonds, d₁ and d₂, respectively, and (b) formation energy E_f...

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Figure 2: Band structures of Si- and S-doped phosphorenes without spin polarization. (a–d) Band structures of...

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Figure 3: Energy differences ΔE_sp and net magnetic moments M as functions of the in-plane size of supercell.

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Figure 4: The partial density of states (PDOSs) of Si- and S-doped phosphorenes, Si and S atoms, and neighbor...

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Figure 5: Band structures of Si- and S-doped phosphorenes as functions of the supercell size. (a–d) Band stru...

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Figure 6: Charge density differences (CDDs) of doped phosphorene with different supercell sizes. (a–d) CDDs o...

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Figure 7: Top view and side view of the physical model of doped monolayer phosphorene.

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Figure 8: Band alignment of phosphorene calculated by using (a) the GGA of PBEsol and (b) HSE06. The inset sh...

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Published 02 May 2019

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