Wave propagation is studied in structures consisting of alternate left- and right-handed layers. Bragg gap and zero-n gap appear in different frequency regions of the structure. The periodicity of the structure is bro...Wave propagation is studied in structures consisting of alternate left- and right-handed layers. Bragg gap and zero-n gap appear in different frequency regions of the structure. The periodicity of the structure is broken by simply reversing the order of the layers in one half of the structure, resulting in defect modes located inside the zero-n gap and Bragg gap. These modes can be made very narrow by adding more layers in the structure. The defect mode located inside the zero-n gap is sensitive to the symmetry of the structure and insensitive to the angle of incidence of the incoming radiation. Multiple modes are also generated inside the gaps by repeating the structural pattern. Thus, a simple structure can be used for single and multiple modes that are imDortant for different applications.展开更多
The structure and energy of He impurities and vacancy on （001） surface of bcc iron are investigated by an ab initio method. Three cases for stabilities of a He atom at the surface are found： some of He atoms at sur...The structure and energy of He impurities and vacancy on （001） surface of bcc iron are investigated by an ab initio method. Three cases for stabilities of a He atom at the surface are found： some of He atoms at surface atomic layers （SAL） relax into vacuum gap; some of surface He atoms at octahedral interstitial site relax into more stable tetrahedral interstitial site; some of surface He atoms still stay at tetrahedral interstitial site. The un-stability of the He atom at the surface system can be explained by deformation mechanism of charge densities and electronic densities of states. It is found that formation energy of the point defects from the topmost SAL to bulk-like atomic layer increase gradually, for example, the formation energies of a monovacancy at the first five topmost SALs are equal to 0.33, 1.56, 2.04, 2.02 and 2.11 eV, respectively. The magnetic moments of Fe atoms in the surface atomic layers are also calculated.展开更多
The transition among multiple charging states of a semiconductor＇s localized intrinsic/impurity defects is considered as phase transitions, and the concept of transition Gibbs free energy level （TGFEL） is proposed....The transition among multiple charging states of a semiconductor＇s localized intrinsic/impurity defects is considered as phase transitions, and the concept of transition Gibbs free energy level （TGFEL） is proposed. Dependence of the cross section of TGFEL on its charge state is discussed. Introduction of TGFEL to replace acti- vation energy has fundamentally important consequences for semiconductor physics and devices. TGFEL involves entropy. What is to be included and not included in the entropy term consistently for all defect levels is an unre- solved open question, related to correct interpretation of various experimental data associated with various defect levels. This work is a first step towards resolving this question.展开更多
文摘Wave propagation is studied in structures consisting of alternate left- and right-handed layers. Bragg gap and zero-n gap appear in different frequency regions of the structure. The periodicity of the structure is broken by simply reversing the order of the layers in one half of the structure, resulting in defect modes located inside the zero-n gap and Bragg gap. These modes can be made very narrow by adding more layers in the structure. The defect mode located inside the zero-n gap is sensitive to the symmetry of the structure and insensitive to the angle of incidence of the incoming radiation. Multiple modes are also generated inside the gaps by repeating the structural pattern. Thus, a simple structure can be used for single and multiple modes that are imDortant for different applications.
基金supported by National Basic Research Program of China (No.2007CB209803)the National Natural Science Foundation of China (No.51231002)the Applied Basic Research Program from Hebei Province
文摘The structure and energy of He impurities and vacancy on （001） surface of bcc iron are investigated by an ab initio method. Three cases for stabilities of a He atom at the surface are found： some of He atoms at surface atomic layers （SAL） relax into vacuum gap; some of surface He atoms at octahedral interstitial site relax into more stable tetrahedral interstitial site; some of surface He atoms still stay at tetrahedral interstitial site. The un-stability of the He atom at the surface system can be explained by deformation mechanism of charge densities and electronic densities of states. It is found that formation energy of the point defects from the topmost SAL to bulk-like atomic layer increase gradually, for example, the formation energies of a monovacancy at the first five topmost SALs are equal to 0.33, 1.56, 2.04, 2.02 and 2.11 eV, respectively. The magnetic moments of Fe atoms in the surface atomic layers are also calculated.
基金support from CNBM (China National Building Materials) Group for its partial financial support of the work
文摘The transition among multiple charging states of a semiconductor＇s localized intrinsic/impurity defects is considered as phase transitions, and the concept of transition Gibbs free energy level （TGFEL） is proposed. Dependence of the cross section of TGFEL on its charge state is discussed. Introduction of TGFEL to replace acti- vation energy has fundamentally important consequences for semiconductor physics and devices. TGFEL involves entropy. What is to be included and not included in the entropy term consistently for all defect levels is an unre- solved open question, related to correct interpretation of various experimental data associated with various defect levels. This work is a first step towards resolving this question.
