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1 article(s) from Li, Junjun

First principles modeling of pure black phosphorus devices under pressure

Ximing Rong,
Zhizhou Yu,
Zewen Wu,
Junjun Li,
Bin Wang and
Yin Wang

Beilstein J. Nanotechnol. 2019, 10, 1943–1951, doi:10.3762/bjnano.10.190

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Figure 1: (a) Schematic drawing of the BP nanodevice; (b) zigzag BP device with a length of the central regio...

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Figure 2: (a–c) Top view and side view of the partially relaxed BP structures under different compressing rat...

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Figure 3: (a–c) Band structures of partially relaxed BP with pressure ratio R_C = 0, 15% and 30%, respectively...

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Figure 4: Conductance G from first principles calculations (solid symbols) and G_WKB fitted by the WKB model (...

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Figure 5: Real-space distribution of PDOS at the Fermi level in logarithmic scale along the transport directi...

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Figure 6: The values of ln(G_WKB) as function of the length of the pressure region for (a) zigzag and (b) armc...

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Published 24 Sep 2019

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