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PROBABILITY WAVE THEORY OF THE ATOMIC CONFIGURATION FOR MULTI-COMPONENT CRYSTAL STRUCTURES

PROBABILITY WAVE THEORY OF THE ATOMIC CONFIGURATION FOR MULTI-COMPONENT CRYSTAL STRUCTURES
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摘要 It is suggested that there is a kind of probability wave of the atomic configuration p(R)in crystals that can be deduced from the eigenequation of the ionic interaction Hamiltonian,and it has definite physical meaning. By use of the probability wave of the atomic con-figuration, the occupation probabilities of different kinds of atoms at lattice sites in multi-component solutions can be studied, and the crystal structures of multi-component solutionscan be predicted. It is suggested that there is a kind of probability wave of the atomic configuration p(R)in crystals that can be deduced from the eigenequation of the ionic interaction Hamiltonian,and it has definite physical meaning. By use of the probability wave of the atomic con-figuration, the occupation probabilities of different kinds of atoms at lattice sites in multi-component solutions can be studied, and the crystal structures of multi-component solutionscan be predicted.
机构地区 Department of Physics
出处 《Science China Mathematics》 SCIE 1991年第8期955-968,共14页 中国科学:数学(英文版)
关键词 the PROBABILITY wave of the ATOMIC CONFIGURATION (PWAC) crystal structure material design ordered STATE DISORDERED state. the probability wave of the atomic configuration (PWAC) crystal structure material design ordered state disordered state.
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