Research paper
Computational DFTTheoreticalElectronic and Spin-Orbit Properties of hBN Encapsulated Bilayer Graphene
Klaus Zollner, Eike Icking, Jaroslav Fabian
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| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Total Energy Difference | (Bβ1h2,Hα1β2) | 0meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Total Energy Difference | (Nβ1h2,Hα1β2) | 13.911meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Total Energy Difference | (Nβ1h2,Bα1β2) | 16.709meV | — | |||
| Interlayer Distance | d1 | 3.55angstrom | — | |||
| Total Energy Difference | (Bβ1h2N,Hα1β2H) | 0meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.35angstrom | — | |||
| Total Energy Difference | (Nβ1h2B,Hα1β2H) | 27.745meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Interlayer Distance | d2 | 3.5angstrom | — | |||
| Total Energy Difference | (Bβ1h2B,Hα1β2H) | 13.791meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.5angstrom | — | |||
| Total Energy Difference | (Bβ1h2H,Hα1β2B) | 16.602meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Total Energy Difference | (Nβ1h2H,Hα1β2B) | 30.556meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Total Energy Difference | (Nβ1h2H,Bα1β2B) | 33.361meV | — | |||
| Interlayer Distance | d1 | 3.55angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Xrd Lattice Constant A | lattice constant a | 2.46Å | — | — | — | — |
| Xrd Lattice Constant A | lattice constant a | 2.504Å | — | — | — | — |
| Optical Band Gap | band gap | 5.9eV | — | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Total Energy Difference | (Bβ1h2,Hα1β2) | 0meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Total Energy Difference | (Nβ1h2,Hα1β2) | 13.911meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Total Energy Difference | (Nβ1h2,Bα1β2) | 16.709meV | — | |||
| Interlayer Distance | d1 | 3.55angstrom | — | |||
| Total Energy Difference | (Bβ1h2N,Hα1β2H) | 0meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.35angstrom | — | |||
| Total Energy Difference | (Nβ1h2B,Hα1β2H) | 27.745meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Interlayer Distance | d2 | 3.5angstrom | — | |||
| Total Energy Difference | (Bβ1h2B,Hα1β2H) | 13.791meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.5angstrom | — | |||
| Total Energy Difference | (Bβ1h2H,Hα1β2B) | 16.602meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Total Energy Difference | (Nβ1h2H,Hα1β2B) | 30.556meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Total Energy Difference | (Nβ1h2H,Bα1β2B) | 33.361meV | — | |||
| Interlayer Distance | d1 | 3.55angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Xrd Lattice Constant A | lattice constant a | 2.46Å | — | — | — | — |
| Xrd Lattice Constant A | lattice constant a | 2.504Å | — | — | — | — |
| Optical Band Gap | band gap | 5.9eV | — | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Total Energy Difference | (Bβ1h2,Hα1β2) | 0meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Total Energy Difference | (Nβ1h2,Hα1β2) | 13.911meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Total Energy Difference | (Nβ1h2,Bα1β2) | 16.709meV | — | |||
| Interlayer Distance | d1 | 3.55angstrom | — | |||
| Total Energy Difference | (Bβ1h2N,Hα1β2H) | 0meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.35angstrom | — | |||
| Total Energy Difference | (Nβ1h2B,Hα1β2H) | 27.745meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Interlayer Distance | d2 | 3.5angstrom | — | |||
| Total Energy Difference | (Bβ1h2B,Hα1β2H) | 13.791meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.5angstrom | — | |||
| Total Energy Difference | (Bβ1h2H,Hα1β2B) | 16.602meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Total Energy Difference | (Nβ1h2H,Hα1β2B) | 30.556meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Total Energy Difference | (Nβ1h2H,Bα1β2B) | 33.361meV | — | |||
| Interlayer Distance | d1 | 3.55angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Xrd Lattice Constant A | lattice constant a | 2.46Å | — | — | — | — |
| Xrd Lattice Constant A | lattice constant a | 2.504Å | — | — | — | — |
| Optical Band Gap | band gap | 5.9eV | — | — | — | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Total Energy Difference | (Bβ1h2,Hα1β2) | 0meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Total Energy Difference | (Nβ1h2,Hα1β2) | 13.911meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Total Energy Difference | (Nβ1h2,Bα1β2) | 16.709meV | — | |||
| Interlayer Distance | d1 | 3.55angstrom | — | |||
| Total Energy Difference | (Bβ1h2N,Hα1β2H) | 0meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.35angstrom | — | |||
| Total Energy Difference | (Nβ1h2B,Hα1β2H) | 27.745meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Interlayer Distance | d2 | 3.5angstrom | — | |||
| Total Energy Difference | (Bβ1h2B,Hα1β2H) | 13.791meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.5angstrom | — | |||
| Total Energy Difference | (Bβ1h2H,Hα1β2B) | 16.602meV | — | |||
| Interlayer Distance | d1 | 3.35angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Total Energy Difference | (Nβ1h2H,Hα1β2B) | 30.556meV | — | |||
| Interlayer Distance | d1 | 3.5angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Total Energy Difference | (Nβ1h2H,Bα1β2B) | 33.361meV | — | |||
| Interlayer Distance | d1 | 3.55angstrom | — | |||
| Interlayer Distance | d2 | 3.55angstrom | — | |||
| Xrd Lattice Constant A | lattice constant a | 2.46Å | — | — | — | — |
| Xrd Lattice Constant A | lattice constant a | 2.504Å | — | — | — | — |
| Optical Band Gap | band gap | 5.9eV | — | — | — | — |