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The systematic investigations of the mechanical, elastic, and electronic properties, and stability of the newly synthesized monoclinic C2/m-Ca_2C_3 are performed, based on the first-principles calculations. Ca_2C_3 is found to be mechanically and dynamically stable only from 0 GPa to 24 GPa. The elastic anisotropy studies show that Ca_2C_3 exhibits the elastic anisotropy increasing with the augment of pressure. Furthermore, using the HSE06 hybrid functional, the electronic properties of Ca_2C_3 under pressure are calculated. The structure can be regarded as a quasi-direct band gap semiconductor, and the pressure-induced direct-indirect band gap transition is studied in detail. 相似文献
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为了研究超导Josephson结的性质,选用四阶龙格一库塔法对RSJ模型下单个Josephson结及其阵列以及微波辐照下Josephson结的直流I-V特性进行了数值计算,并将模拟结果与实验结果进行了比较. 相似文献
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