Using a stiffness matrix method, we in- vestigate the propagation behaviors of elastic waves in one-dimensional (1D) piezoelectric/piezomagnetic (PE/PM) phononic crystals (PCs) with line defects by calculating e...Using a stiffness matrix method, we in- vestigate the propagation behaviors of elastic waves in one-dimensional (1D) piezoelectric/piezomagnetic (PE/PM) phononic crystals (PCs) with line defects by calculating energy reflection/transmittion coefficients of quasi-pressure and quasi-shear waves. Line defects are created by the re- placement of PE or PM constituent layer. The defect modes existing in the first gap are considered and the influences on defect modes of the material properties and volume fraction of the defect layers, the type of incident waves, the location of defect layer and the number of structural layers are discussed in detail. Numerical results indicate that defect modes are the most obvious when the defect layers are inserted in the middle of the perfect PCs; the types of incidence wave and material properties of the defect layers have important effects on the numbers, the location of frequencies and the peaks of defect modes, and the defect modes are strongly de- pendent on volume fraction of the defect layers. We hope this paper will be found useful for the design of PE/PM acoustic filters or acoustic transducer with PCs structures.展开更多
We investigate in detail the influence of line defects on focusing of electromagnetic waves in a two-dimensional photonic-crystal flat lens. Through simulations, we find that a focusing can always be observed when a l...We investigate in detail the influence of line defects on focusing of electromagnetic waves in a two-dimensional photonic-crystal flat lens. Through simulations, we find that a focusing can always be observed when a line defect in the lens is introduced along the light transmission direction and the width of the line defect is less than λ/2. However, there appear two focusings when the width of the line defect is more than λ/2. When the line defect is introduced along the direction perpendicular to the transmission, there is always one focusing.展开更多
The type, morphology and sources of inclusion in steels, including indigenous and exogenous inclusions, were discussed and reviewed. Indigenous inclusions are deoxidation products or inclusions precipitated during coo...The type, morphology and sources of inclusion in steels, including indigenous and exogenous inclusions, were discussed and reviewed. Indigenous inclusions are deoxidation products or inclusions precipitated during cooling and solidification of steel. Exogenous inclusions arise primarily from the incidental chemical (reoxidation) and mechanical interaction of liquid steel with its surroundings (slag entrainment and erosion of lining refractory). Types and causes for the nozzle clogging were also summarized. Reasons for bubble formation and bubble size distribution in steels were discussed thereafter. Finally, morphology and causes of inclusion-related defects in continuously cast steel products were reviewed, such as flange cracking in cans, slag spots and line defects on strips.展开更多
We study the local density of states (LDOS) for electrons scattering off the line edge of an atomic step defect on the surface of a three-dimensional (3D) topological insulator (TI) and the line edge of a finite...We study the local density of states (LDOS) for electrons scattering off the line edge of an atomic step defect on the surface of a three-dimensional (3D) topological insulator (TI) and the line edge of a finite 3D TI, where the front surface and side surface meet with different Fermi velocities, respectively. By using a S-function potential to model the edges, we find that the bound states existed along the step line edge significantly contribute to the LDOS near the edge, but do not modify the exponential behavior away from it. In addition, the power-law decaying behavior for LDOS oscillation away from the step is understood from the spin rotation for surface states scattering off the step defect with magnitude depending on the strength of the potential. Furthermore, the electron refraction and total reflection analogous to optics occurred at the line edge where two surfaces meet with different Fermi velocities, which leads to the LDOS decaying behavior in the greater Fermi velocity side similar to that for a step line edge. However, in the smaller velocity side the LDOS shows a different decaying behavior as x-1/2, and the wavevector of LDOS oscillation is no longer equal to the diameter of the constant energy contour of surface band, but is sensitively dependent on the ratio of the two Fermi velocities. These effects may be verified by STM measurement with high precision.展开更多
By using density functional theory(DFT)-based first-principles calculations, the structural stability and electronic properties for two kinds of silicene domain boundaries, forming along armchair edge and zigzag edge,...By using density functional theory(DFT)-based first-principles calculations, the structural stability and electronic properties for two kinds of silicene domain boundaries, forming along armchair edge and zigzag edge, have been investigated. The results indicate that a linkage of tetragonal and octagonal rings(4|8) appears along the armchair edge, while a linkage of paired pentagonal and octagonal rings(5|5|8) appears along the zigzag edge. Different from graphene, the buckling properties of silicene lead to two mirror symmetrical edges of silicene line-defect. The formation energies indicate that the 5|5|8 domain boundary is more stable than the 4|8 domain boundary. Similar to graphene, the calculated electronic properties show that the 5|5|8 domain boundaries exhibit metallic properties and the 4|8 domain boundaries are half-metal.Both domain boundaries create the perfect one-dimensional(1D) metallic wires. Due to the metallic properties, these two kinds of nanowires can be used to build the silicene-based devices.展开更多
Ru-based superconductor LaRu_(2)As_(2) has been discovered exhibiting the highest critical temperature of ~ 7.8 K among iron-free transition metal pnictides with the ThCr_(2)Si_(2)-type crystal structure. However, mic...Ru-based superconductor LaRu_(2)As_(2) has been discovered exhibiting the highest critical temperature of ~ 7.8 K among iron-free transition metal pnictides with the ThCr_(2)Si_(2)-type crystal structure. However, microscopic research on this novel superconducting material is still lacking. Here, we utilize scanning tunneling microscopy/spectroscopy to uncover the superconductivity and surface structure of LaRu_(2)As_(2). Two distinct terminating surfaces are identified on the cleaved crystals, namely, the As surface and the La surface. Atomic missing line defects are observed on the La surface. Both surfaces exhibit a superconducting gap of ~ 1.0 me V. By employing quasiparticle interference techniques, we observe standing wave patterns near the line defects on the La atomic plane. These patterns are attributed to quasiparticle scattering from two electron type parabolic bands.展开更多
Two-dimensional(2D)materials with defects are desired for catalysis after the adsorption of monodispersed noble metal atoms.High-performance catalysts with the absolute value of Gibbs free energy(|△GH|)close to zero,...Two-dimensional(2D)materials with defects are desired for catalysis after the adsorption of monodispersed noble metal atoms.High-performance catalysts with the absolute value of Gibbs free energy(|△GH|)close to zero,is one of the ultimate goals in the catalytic field.Here,we report the formation of monolayer titanium selenide(TiSe2)with line defects.The low-temperature scanning tunneling microscopy/spectroscopy(STM/S)measurements revealed the structure and electronic states of the line defect.Density functional theory(DFT)calculation results confirmed that the line defects were induced by selenium vacancies and the STM simulation was in good agreement with the experimental results.Further,DFT calculations show that monolayer TiSe_(2) with line defects have good catalytic activity for hydrogen evolution reaction(HER).If the defects are decorated with single Pt atom,the HER catalytic activity will be enhanced dramatically(|△GH|=0.006 eV),which is much better than Pt metal(|△GH|=0.09 eV).Line defects in monolayer TiSe_(2)/Au(111)provide a wonderful platform for the design of high-performance catalysts.展开更多
Defects play vital roles in tailoring structures and properties of materials including the atomically thin two-dimensional(2D)materials,and increasing demands are requested to find effective ways to realize the defect...Defects play vital roles in tailoring structures and properties of materials including the atomically thin two-dimensional(2D)materials,and increasing demands are requested to find effective ways to realize the defect engineering,i.e.,tuning the defects and thus the materials’structure–property in a well-controlled way.Herein,we propose a novel method to tune the structures and configurations of one-dimensional(1D)line defects in monolayer MoS2 via mass transport induced structural transformation.By using atomic-resolved annular dark-field scanning transmission electron microscopy(ADF-STEM),we demonstrate in situ that sulfur vacancy line defect can be healed locally into defect-free MoS_(2)lattice via the desorption of Mo atoms from vacancy lines and adsorption into a moving Mo cluster.Furthermore,directional transport of Mo atoms(or Mo cluster)along the sulfur vacancy lines can induce the formation of Mo chains.Such a mass transport induced defect tuning provides more operational routes for the rational defect designing and property tuning in MoS_(2)as well as other related 2D materials.展开更多
基金supported by the National Natural Science Foundation of China(11102122)
文摘Using a stiffness matrix method, we in- vestigate the propagation behaviors of elastic waves in one-dimensional (1D) piezoelectric/piezomagnetic (PE/PM) phononic crystals (PCs) with line defects by calculating energy reflection/transmittion coefficients of quasi-pressure and quasi-shear waves. Line defects are created by the re- placement of PE or PM constituent layer. The defect modes existing in the first gap are considered and the influences on defect modes of the material properties and volume fraction of the defect layers, the type of incident waves, the location of defect layer and the number of structural layers are discussed in detail. Numerical results indicate that defect modes are the most obvious when the defect layers are inserted in the middle of the perfect PCs; the types of incidence wave and material properties of the defect layers have important effects on the numbers, the location of frequencies and the peaks of defect modes, and the defect modes are strongly de- pendent on volume fraction of the defect layers. We hope this paper will be found useful for the design of PE/PM acoustic filters or acoustic transducer with PCs structures.
基金Project supported by the National Natural Science Foundation of China (Grant No.10704006)
文摘We investigate in detail the influence of line defects on focusing of electromagnetic waves in a two-dimensional photonic-crystal flat lens. Through simulations, we find that a focusing can always be observed when a line defect in the lens is introduced along the light transmission direction and the width of the line defect is less than λ/2. However, there appear two focusings when the width of the line defect is more than λ/2. When the line defect is introduced along the direction perpendicular to the transmission, there is always one focusing.
文摘The type, morphology and sources of inclusion in steels, including indigenous and exogenous inclusions, were discussed and reviewed. Indigenous inclusions are deoxidation products or inclusions precipitated during cooling and solidification of steel. Exogenous inclusions arise primarily from the incidental chemical (reoxidation) and mechanical interaction of liquid steel with its surroundings (slag entrainment and erosion of lining refractory). Types and causes for the nozzle clogging were also summarized. Reasons for bubble formation and bubble size distribution in steels were discussed thereafter. Finally, morphology and causes of inclusion-related defects in continuously cast steel products were reviewed, such as flange cracking in cans, slag spots and line defects on strips.
基金Project supported by the National Natural Science Foundation of China(Grant No.11274108)the Specialized Research Fund for the Doctoral Program of Higher Education of China(Grant No.20114306110008)the Hunan Provincial Innovation Foundation for Postgraduates(Grant No.CX2012B204)
文摘We study the local density of states (LDOS) for electrons scattering off the line edge of an atomic step defect on the surface of a three-dimensional (3D) topological insulator (TI) and the line edge of a finite 3D TI, where the front surface and side surface meet with different Fermi velocities, respectively. By using a S-function potential to model the edges, we find that the bound states existed along the step line edge significantly contribute to the LDOS near the edge, but do not modify the exponential behavior away from it. In addition, the power-law decaying behavior for LDOS oscillation away from the step is understood from the spin rotation for surface states scattering off the step defect with magnitude depending on the strength of the potential. Furthermore, the electron refraction and total reflection analogous to optics occurred at the line edge where two surfaces meet with different Fermi velocities, which leads to the LDOS decaying behavior in the greater Fermi velocity side similar to that for a step line edge. However, in the smaller velocity side the LDOS shows a different decaying behavior as x-1/2, and the wavevector of LDOS oscillation is no longer equal to the diameter of the constant energy contour of surface band, but is sensitively dependent on the ratio of the two Fermi velocities. These effects may be verified by STM measurement with high precision.
基金supported by the National Natural Science Foundation of China(Grant Nos.61390501 and 51325204)the National Basic Research Program of China(Grant Nos.2011CB808401 and 2011CB921702)the Tainjin Supercomputing Center,Chinese Academy of Sciences
文摘By using density functional theory(DFT)-based first-principles calculations, the structural stability and electronic properties for two kinds of silicene domain boundaries, forming along armchair edge and zigzag edge, have been investigated. The results indicate that a linkage of tetragonal and octagonal rings(4|8) appears along the armchair edge, while a linkage of paired pentagonal and octagonal rings(5|5|8) appears along the zigzag edge. Different from graphene, the buckling properties of silicene lead to two mirror symmetrical edges of silicene line-defect. The formation energies indicate that the 5|5|8 domain boundary is more stable than the 4|8 domain boundary. Similar to graphene, the calculated electronic properties show that the 5|5|8 domain boundaries exhibit metallic properties and the 4|8 domain boundaries are half-metal.Both domain boundaries create the perfect one-dimensional(1D) metallic wires. Due to the metallic properties, these two kinds of nanowires can be used to build the silicene-based devices.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.62488201 and 52072401)the National Key R&D Program of China(Grant No.2019YFA0308500)+1 种基金the Chinese Academy of Sciences(Grant No.YSBR-003)the Innovation Program of Quantum Science and Technology(Grant No.2021ZD0302700)。
文摘Ru-based superconductor LaRu_(2)As_(2) has been discovered exhibiting the highest critical temperature of ~ 7.8 K among iron-free transition metal pnictides with the ThCr_(2)Si_(2)-type crystal structure. However, microscopic research on this novel superconducting material is still lacking. Here, we utilize scanning tunneling microscopy/spectroscopy to uncover the superconductivity and surface structure of LaRu_(2)As_(2). Two distinct terminating surfaces are identified on the cleaved crystals, namely, the As surface and the La surface. Atomic missing line defects are observed on the La surface. Both surfaces exhibit a superconducting gap of ~ 1.0 me V. By employing quasiparticle interference techniques, we observe standing wave patterns near the line defects on the La atomic plane. These patterns are attributed to quasiparticle scattering from two electron type parabolic bands.
基金We thank Guangchao Chen for his help.This work was supported by the National Key R&D Program of China(Nos.2019YFA0308500 and 2018YFA0305800)the National Natural Science Foundation of China(Nos.61925111 and 61888102)+1 种基金Strategic Priority Research Program of Chinese Academy of Sciences(Nos.XDB28000000 and XDB30000000)the Fundamental Research Funds for the Central Universities,and CAS Key Laboratory of Vacuum Physics.
文摘Two-dimensional(2D)materials with defects are desired for catalysis after the adsorption of monodispersed noble metal atoms.High-performance catalysts with the absolute value of Gibbs free energy(|△GH|)close to zero,is one of the ultimate goals in the catalytic field.Here,we report the formation of monolayer titanium selenide(TiSe2)with line defects.The low-temperature scanning tunneling microscopy/spectroscopy(STM/S)measurements revealed the structure and electronic states of the line defect.Density functional theory(DFT)calculation results confirmed that the line defects were induced by selenium vacancies and the STM simulation was in good agreement with the experimental results.Further,DFT calculations show that monolayer TiSe_(2) with line defects have good catalytic activity for hydrogen evolution reaction(HER).If the defects are decorated with single Pt atom,the HER catalytic activity will be enhanced dramatically(|△GH|=0.006 eV),which is much better than Pt metal(|△GH|=0.09 eV).Line defects in monolayer TiSe_(2)/Au(111)provide a wonderful platform for the design of high-performance catalysts.
基金financially supported by the National Key Research and Development Program of China (2018YFB0703600)the National Natural Science Foundation of China (51772232)+1 种基金the 111 Project of China (B07040)Wuhan Frontier Project on Applied Research Foundation (2019010701011405)
基金This work done in Hangzhou was financially supported by the National Natural Science Foundation of China(Nos.51772265,5171165024 and 61721005)Zhejiang Provincial Nature Science Foundation(No.D19E020002)+5 种基金the Program of the Ministry of Education of China for Introducing Talents of Discipline to Universities(No.B16042)This work done in Beijing was financially supported by the Ministry of Science and Technology(MOST)of China(No.2018YFE0202700)the National Natural Science Foundation of China(Nos.11974422,61674171,11622437,and 61761166009)the Strategic Priority Research Program of Chinese Academy of Sciences(No.XDB30000000)the Fundamental Research Funds for the Central Universities of China and the Research Funds of Renmin University of China(Nos.16XNLQ01,19XNLG11,19XNQ025(W.J.))We thank Chunxia Yang for kindly providing us high-quality CVD-grown MoS2 samples.Calculations were performed at the Physics Lab of High-Performance Computing of Renmin University of China and Shanghai Supercomputer Center.The work on electron microscopy was done at the Center for Electron Microscopy of Zhejiang University.
文摘Defects play vital roles in tailoring structures and properties of materials including the atomically thin two-dimensional(2D)materials,and increasing demands are requested to find effective ways to realize the defect engineering,i.e.,tuning the defects and thus the materials’structure–property in a well-controlled way.Herein,we propose a novel method to tune the structures and configurations of one-dimensional(1D)line defects in monolayer MoS2 via mass transport induced structural transformation.By using atomic-resolved annular dark-field scanning transmission electron microscopy(ADF-STEM),we demonstrate in situ that sulfur vacancy line defect can be healed locally into defect-free MoS_(2)lattice via the desorption of Mo atoms from vacancy lines and adsorption into a moving Mo cluster.Furthermore,directional transport of Mo atoms(or Mo cluster)along the sulfur vacancy lines can induce the formation of Mo chains.Such a mass transport induced defect tuning provides more operational routes for the rational defect designing and property tuning in MoS_(2)as well as other related 2D materials.