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ab initio CALCULATION FOR THE ELECTRONIC STRUCTURE OF GaAs/AlxGa1-x As SUPERLATTICES: CONJUGATE GRADIENT APPROACH
1
作者 英进 姜恩永 +2 位作者 光日 金成规 任世伟 《Transactions of Tianjin University》 EI CAS 2001年第2期98-100,共页
The electronic structure of GaAs/Al xGa 1-x As superlattices has been investigated by an ab initio calculation method—the conjugate gradient (CG) approach.In order to determine that,a conventional CG scheme is m... The electronic structure of GaAs/Al xGa 1-x As superlattices has been investigated by an ab initio calculation method—the conjugate gradient (CG) approach.In order to determine that,a conventional CG scheme is modified for our superlattices:First,apart from the former scheme,for the fixed electron density n(z),the eigenvalues and eigenfunctions are calculated,and then by using those,reconstruct the new n(z).Also,for every k z,we apply the CG schemes independently.The calculated energy difference between two minibands,and Fermi energy are in good agreement with the experimental data. 展开更多
关键词 electronic structure SUPERLATTICE ab initio calculation conjugate gradient approach
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ab initio CALCULATION FOR THE ELECTRONIC STRUCTURE OF GaAs/Al_xGa_(1-x) As SUPERLATTICES: CONJUGATE GRADIENT APPROACH
2
作者 英进 姜恩永 +2 位作者 光日 金成规 任世伟 《Transactions of Tianjin University》 EI CAS 2001年第2期98-100,共3页
The electronic structure of GaAs/Al xGa 1-x As superlattices has been investigated by an ab initio calculation method—the conjugate gradient (CG) approach.In order to determine that,a conventional CG scheme is m... The electronic structure of GaAs/Al xGa 1-x As superlattices has been investigated by an ab initio calculation method—the conjugate gradient (CG) approach.In order to determine that,a conventional CG scheme is modified for our superlattices:First,apart from the former scheme,for the fixed electron density n(z),the eigenvalues and eigenfunctions are calculated,and then by using those,reconstruct the new n(z).Also,for every k z,we apply the CG schemes independently.The calculated energy difference between two minibands,and Fermi energy are in good agreement with the experimental data. 展开更多
关键词 electronic structure SUPERLATTICE ab initio calculation conjugate gradient approach
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