运用密度泛函平面波赝势方法(PWP)和广义梯度近似(GGA),对替代式掺杂钒(V)的闪锌矿(ZnS)的超晶胞电子结构进行了计算。
The optical properties and electrical structure of V in ZnS supercell have been computed by means of plane wave pseudo-potential method(PWP) with generalized gradient approximation(GGA).
闪锌矿为主要的矿石矿物。
它可以用来估计包括闪锌矿在内的储量。
It enables an estimate to be made of the reserves, including sphalerite.
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