Effect of vacancy defects on electronic properties and activation of sphalerite（110） surface by first-principles - 陈建华 陈晔 李玉琼 (Transactions of Nonferrous Metals Society of China, 2010)
Keywords: 密度泛函理论; 电子性质; 空位缺陷; 第一原理; 表面状态; 计算结果; 闪锌矿