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Surface,Size and Thermal Effects in Alkali Metal with Core-Electron binding-energy Shifts

Chinese Journal of Chemical Physics 2021年第5期34卷 628-638,I0003,I0004页

作者： Wen-huan Zhu Zhong-kai Huang Mao-lin Bo Jin Huang Cheng Peng Hai Liu National Key Laboratory of Science and Technology on Micro/Nano Fabrication Shanghai Jiao Tong UniversityShanghai 200240China Key Laboratory of Inorganic Special Functional Materials of Chongqing Yangtze Nromal UniversityChongqing 408100China Key Laboratory of Extraordinary Bond Engineering and Advanced Materials Technology of Chongqing Yangtze Normal UniversityChongqing 408100China School of Chemistry and Chemical Engineering Southwest UniversityChongqing 400715China Key Laboratory of Advanced Display and System Applications of Ministry of Education Shanghai UniversityShanghai 200072China

Consistency between density functional theory calculations and X-ray photoelectron spectroscopy measurements confirms our predications on the undercoordination-induced local bond relaxation and core level shift of alkali metal,which determine the surface,size and thermal properties of ***-resolved photoelectron spectroscopyanalysis method and bond order-length-strength theory can be utilized to quantify the physical parameters regarding bonding identities and electronic property of metal surfaces,which allows for the study of the core-electron binding-energy shifts in alkali *** employing these methods and first principle calculation in this work,we can obtain the information of bond and atomic cohesive energy of under-coordinated atoms at the alkali metal *** addition,the effect of size and temperature towards the binding-energy in the surface region can be seen from the view point of Hamiltonian perturbation by atomic relaxation with atomic bonding.

关键词： Alkali metal First principle calculation Metal surface binding-energy Size effect Thermal effect

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Effects of Electric Field on Electronic States in a GaAs/GaAlAs Quantum Dot with Different Confinements

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Chinese Physics Letters 2008年第8期25卷 3021-3024页

作者： A. John Peter Vemuri Lakshminarayana Govt. Arts College Melur-625 106 Madurai India Mohamed Sathak Engineering College Kilakarai-623 806 Rarnnad India

binding energies of shallow hydrogenic impurity in a GaAs/GaAlAs quantum dot with spherical confinement, parabolic confinement and rectangular confinement are calculated as a function of dot radius in the influence of electric field. The binding energy is calculated following a variational procedure within the effective mass approximation along with the spatial depended dielectric function. A finite confining potential well with depth is determined by the discontinuity of the band gap in the quantum dot and the cladding. It is found that the contribution of spatially dependent screening effects are small for a donor impurity and it is concluded that the rectangulax confinement is better than the parabolic and spherical confinements. These results are compared with the existing literature.

关键词： binding-energy IMPURITY STATES HYDROGENIC IMPURITIES MAGNETIC-FIELDS DONOR STATES EXCITON GAAS-GA1-XALXAS CRYSTALLITES CLUSTERS GAAS

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