The calculation results for the lattice constant, bulk modulus, cohesive and electronic band structure agree with that results of ah initio pseudpotential method.
对于平衡晶格常数、体模量、结合能和能带结构的计算结果与从头算赝势方法较接近；
Electronic band structure calculations show that sc-C20 is a semiconductor with wide band gap of 4.20 eV, and the gap increase with pressure, similar to that of diamond.
电子能带结构计算表明sc - C20为宽带隙(4.20eV)半导体型碳，并且随着压力升高带隙呈现增大的趋势，sc - C20带隙的大小及变化规律与金刚石相似。
The electronic structure of a quaternary alloy has been investigated using EHT band calculation method.
用EHT紧束缚能带计算方法，研究了四元合金的电子结构。
Photonic crystals were periodic optical structures that were capable of generating photonic band gaps, analogous to the way of electronic band gaps generated by periodic atomic structure.
光子晶体是周期性介电结构，它能象周期性原子结构中的电子禁带一样，产生光子禁带。
The electronic structure of a quaternary alloy has been investigated using EHT band calculation method.
用紧束缚能带计算方法(EHT)研究了标题多元合金的能带及电子结构。
The band structure and the electronic probability density of C60 cluster are calculated.
计算了C60团簇的能带结构和电子几率密度。
The band structure and the electronic probability density of C60 cluster are calculated.
计算了C60团簇的能带结构和电子几率密度。
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