排序方式: 共有19条查询结果,搜索用时 13 毫秒
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正站立在物理所所史展大厅,凝望着一幅幅珍贵的历史照片和一件件陈旧的仪器实物,我感慨万千。"千磨万击还坚劲,任尔东西南北风。"物理所风雨磨砺、坚韧不拔的历史,镌刻在了90年前开始的岁月里……漫长的艰难足迹,不仅折射出物理学科在我国生根、发芽、发展、壮大的宏伟篇章,也印证了中国基础科学研究从无到有、由弱渐强的战略征程。90年前,中科院物理研究所的前身中央研究院物理研究所和北平研究院物理 相似文献
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利用基于密度泛函理论平面波赝势法的第一性原理计算,研究了过渡金属化合物OsB2和OsO2的金红石相、黄铁矿相与萤石相三种结构在高压下的状态方程和结构特性以及OsO2可能的高压相变.理论计算结果支持OsB2与OsO2的萤石相是潜在超低可压缩性的硬性材料.同时,也分析了它们的电子结构,力求理解大体变模量和高硬度的微观机制.结果表明,可以利用过渡金属高的价电子浓度,掺入硼、氧、碳、氮等轻的元素形成强的方向键,这可能提供了一种合成超硬材料的新途径. 相似文献
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We propose an efficient implementation of combining dynamical mean field theory(DMFT) with electronic structural calculation based on the local density approximation(LDA).The pseudo-potential-plane-wave method is used in the LDA part,which enables it to be applied to large systems.The full loop self consistency of the charge density has been reached in our implementation,which allows us to compute the total energy related properties.The procedure of LDA+DMFT is introduced in detail with a complete flow chart.We have also applied our code to study the electronic structure of several typical strong correlated materials,including cerium,americium and NiO.Our results fit quite well with both the experimental data and previous studies. 相似文献
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STUDIES ON THE NEXT-NEAREST NEIGHBOR HOPPING INTERACTIONS OF π-ELECTRONS IN QUASI-ONE-DIMENSIONAL ORGANIC FERROMAGNETIC MODEL 下载免费PDF全文
Based on a theoretical model proposed for quasi-one-dimensional organic polymer fer-romagnets, the next-nearest neighbor hopping interactions of sr-electrons are considered. Allowing for full lattice relaxation, a set of self-consistent equations is established to study the system. The spin-density-wave (SDW) and the possible ferromagnetic ground state of the system are investigated in detail. It is found that the next-nearest neighbor hopping in-teractions will make the SDW stronger and consequently make the ferromagnetic state more stable as compared with the nonmagnetic reference state. 相似文献
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Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit 下载免费PDF全文
<正>This paper proposes an impurity solver for the dynamical mean field theory(DMFT) study of the Mott insulators, which is based on the second order perturbation of the hybridization function.After careful benchmarking with quantum Monte Carlo results on the anti-ferromagnetic phase of the Hubbard model,it concludes that this impurity solver can capture the main physical features in the strong coupling regime and can be a very useful tool for the LDA(local density approximation) + DMFT studies of the Mott insulators with long range order. 相似文献