This study numerically demonstrates the effects of partial band gaps on the negative refraction properties of sonic crystal. The partial band gap appearing at the second band edge leads to the efficient transmissions ...This study numerically demonstrates the effects of partial band gaps on the negative refraction properties of sonic crystal. The partial band gap appearing at the second band edge leads to the efficient transmissions of scattered wave envelopes in the transverse directions inside triangular lattice sonic crystal, and therefore enhances the refraction property of sonic crystal. Numerical simulation results indicate a diagonal guidance of coupled scattered wave envelopes inside crystal structure at the partial band gap frequencies and then output waves are restored in the vicinity of the output interface of sonic crystal by combining phase coherent scattered waves according to Huygens＇ principles. This mechanism leads to two operations for wavefront engineering： one is spatial wavefront shifting operation and the other is convex-concave wavefront inversion operation. The effects of this mechanism on the negative refraction and wave focalization are investigated by using the finite difference time domain （FDTD） simulations. This study contributes to a better understanding of negative refraction and wave focusing mechanisms at the band edge frequencies, and shows the applications of the slab comer beam splitting and SC-air multilayer acoustic system.展开更多
We present an <em>ab-initio</em>, self-consistent density functional theory (DFT) description of ground state electronic and related properties of hexagonal boron nitride (h-BN). We used a local density ap...We present an <em>ab-initio</em>, self-consistent density functional theory (DFT) description of ground state electronic and related properties of hexagonal boron nitride (h-BN). We used a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO) formalism. We rigorously implemented the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). The method ensures a generalized minimization of the energy that is far beyond what can be obtained with self-consistency iterations using a single basis set. The method leads to the ground state of the material, in a verifiable manner, without employing over-complete basis sets. We report the ground state band structure, band gap, total and partial densities of states, and electron and hole effective masses of hexagonal boron nitride (h-BN). Our calculated, indirect band gap of 4.37 eV, obtained with room temperature experimental lattice constants of <em>a</em> = 2.504 <span style="white-space:nowrap;">Å</span> and <em>c </em>= 6.661 <span style="white-space:nowrap;">Å</span>, is in agreement with the measured value of 4.3 eV. The valence band maximum is slightly to the left of the K point, while the conduction band minimum is at the M point. Our calculated, total width of the valence and total and partial densities of states are in agreement with corresponding, experimental findings.展开更多
基金Project supported by the Inonu Universty Scientific Research Projects Coordination Unit(Grant Nos.2012/29 and 2013/56)
文摘This study numerically demonstrates the effects of partial band gaps on the negative refraction properties of sonic crystal. The partial band gap appearing at the second band edge leads to the efficient transmissions of scattered wave envelopes in the transverse directions inside triangular lattice sonic crystal, and therefore enhances the refraction property of sonic crystal. Numerical simulation results indicate a diagonal guidance of coupled scattered wave envelopes inside crystal structure at the partial band gap frequencies and then output waves are restored in the vicinity of the output interface of sonic crystal by combining phase coherent scattered waves according to Huygens＇ principles. This mechanism leads to two operations for wavefront engineering： one is spatial wavefront shifting operation and the other is convex-concave wavefront inversion operation. The effects of this mechanism on the negative refraction and wave focalization are investigated by using the finite difference time domain （FDTD） simulations. This study contributes to a better understanding of negative refraction and wave focusing mechanisms at the band edge frequencies, and shows the applications of the slab comer beam splitting and SC-air multilayer acoustic system.
文摘We present an <em>ab-initio</em>, self-consistent density functional theory (DFT) description of ground state electronic and related properties of hexagonal boron nitride (h-BN). We used a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO) formalism. We rigorously implemented the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). The method ensures a generalized minimization of the energy that is far beyond what can be obtained with self-consistency iterations using a single basis set. The method leads to the ground state of the material, in a verifiable manner, without employing over-complete basis sets. We report the ground state band structure, band gap, total and partial densities of states, and electron and hole effective masses of hexagonal boron nitride (h-BN). Our calculated, indirect band gap of 4.37 eV, obtained with room temperature experimental lattice constants of <em>a</em> = 2.504 <span style="white-space:nowrap;">Å</span> and <em>c </em>= 6.661 <span style="white-space:nowrap;">Å</span>, is in agreement with the measured value of 4.3 eV. The valence band maximum is slightly to the left of the K point, while the conduction band minimum is at the M point. Our calculated, total width of the valence and total and partial densities of states are in agreement with corresponding, experimental findings.
