Xiao-Jun Zhang, An-Xiang Wang, Xiang-An Yan, Chang-Le Chen. Application of the modified analytic embedded atomic method in W(100) surface phonon spectrum [J]. Acta Physica Sinica, 2020, 69(7): 076301-1
- Acta Physica Sinica
- Vol. 69, Issue 7, 076301-1 (2020)
Fig. 1. Surface structure of W (100): (a) Crystal lattice; (b) reciprocal lattice.
Fig. 2. Surface phonon spectrum of W(100)
Fig. 3. Surface mode distribution of W(100).
Fig. 4. Comparison of calculated S1 surface mode and experimental value.
Fig. 5. Local vibrational state density of atomic layers in the vicinity of the W (100) surface along
symmetry direction: (a) First atomic layer; (b) second atomic layer; (c) third atomic layer; (d) fourth atomic layer.
symmetry direction: (a) First atomic layer; (b) second atomic layer; (c) third atomic layer; (d) fourth atomic layer. Fig. 6. Polarizing state density of atomic layers in the vicinity of the W (100) surface along
symmetry direction: (a) x polarization for first atomic layer; (b) y polarization for first atomic layer; (c) z polarization for first atomic layer; (d) x polarization for second atomic layer; (e) y polarization for second atomic layer; (f) z polarization for second atomic layer.
symmetry direction: (a) Fig. 7. Local vibrational state density of atomic layers in the vicinity of the W (100) surface along
symmetry direction: (a) First atomic layer; (b) second atomic layer; (c) third atomic layer; (d) fourth atomic layer.
symmetry direction: (a) First atomic layer; (b) second atomic layer; (c) third atomic layer; (d) fourth atomic layer. Fig. 8. Polarizing state density of atomic layers in the vicinity of the W (100) surface along
symmetry direction: (a) x polarization for first atomic layer; (b) y polarization for first atomic layer; (c) z polarization for first atomic layer; (d) x polarization for second atomic layer; (e) y polarization for second atomic layer; (f) z polarization for second atomic layer.
symmetry direction: (a) Fig. 9. Local vibration state density of atomic layers in the vicinity of the W (100) surface along
symmetry direction: (a) First atomic layer; (b) second atomic layer.
symmetry direction: (a) First atomic layer; (b) second atomic layer. Fig. 10. Polarizing state density of atomic layers in the vicinity of the W (100) surface along
symmetry direction: (a) x polarization for first atomic layer; (b) y polarization for first atomic layer; (c) z polarization for first atomic layer; (d) x polarization for second atomic layer; (e) y polarization for second atomic layer; (f) z polarization for second atomic layer.
symmetry direction: (a)
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Table 1.
Comparison of vibration frequencies of surface modes for W(100) at high symmetry points (in units of THz).
高对称点处W(100)表面模振动频率的比较 (单位: THz)
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