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QUANTUM BAND STRUCTURE CALCULATING METHOD AND QUANTUM BAND STRUCTURE CALCULATING PROGRAM
QUANTUM BAND STRUCTURE CALCULATING METHOD AND QUANTUM BAND STRUCTURE CALCULATING PROGRAM
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机译：量子带结构计算方法和量子带结构计算程序
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摘要
PROBLEM TO BE SOLVED: To provide a quantum band structure calculating method based on a finite element method which can solve a problem with generation of a spurious solution without with identification based on a wave function or a troublesome mathematical procedure.;SOLUTION: When a band structure as a calculation target is a valence band, constants other than the potential energy are equal to constants other than potential energy of a first semiconductor; also the processing to store in a memory 2 the constants of a second semiconductor whose potential energy is larger than that of the first semiconductor is performed; a second quantum structure having the second semiconductor set outside of a first quantum structure using a finite element method is made spatially discrete at a calculator 3; a band structure, a wave function, and a momentum matrix element are calculated by changing a wave number in the discrete space; and the calculated band structure, wave function, and momentum matrix element are stored in the memory 2.;COPYRIGHT: (C)2009,JPO&INPIT
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