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The 18 A-S states correlated to the lowest dissociation limit of SiTe were calculated by using a high-level multirefer-ence configuration interaction (MRCI) method, including scalar relativistic and spin-orbit coupling effects. Based on the calculated potential energy curves, the spectroscopic constants of bound states were determined, which are well consistent with previous experimental results. The spin-orbit matrix elements between the A-S states were computed, which lead to an in-deoth understanding, of oerturbations on the electronic state a^3∏. Finally. the transition dioole moments of allowed transitionsA^1∏-X^1∑^+,E^1∑^+-X^1∑^+,a^3∏-d^3△,a^3∏-d^3△,a^∏-a′^3∑^+,a^3∏-e^3∑^-,and the radiative lifetimes of A^1∏,E^1∑^+,and a^3∏ were evaluated.  相似文献   

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Kaiyao Zhou 《中国物理 B》2021,30(8):87202-087202
Two-dimensional (2D) van der Waals material is a focus of research for its widespread application in optoelectronics, memories, and spintronics. The ternary compound Nb2SiTe4 is a van der Waals semiconductor with excellent air stability and small cleavage energy, which is suitable for preparing a few layers counterpart to explore novel properties. Here, properties of bulk Nb2SiTe4 with large in-plane electrical anisotropy are demonstrated. It is found that hole carriers dominate at a temperature above 45 K with a carrier active energy of 31.3 meV. The carrier mobility measured at 100 K is about 213 cm2·V-1·s-1 in bulk Nb2SiTe4, higher than the reported results. In a thin flake Nb2SiTe4, the resistivity ratio between the crystalline axes of a and b is reaching about 47.3 at 2.5 K, indicating that there exists a large anisotropic transport behavior in their basal plane. These novel transport properties provide accurate information for modulating or utilizing Nb2SiTe4 for electronic device applications.  相似文献   

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Accurate rotational spectra of 28 isotopologues of the ground electronic states of ZnO, ZnS, SiSe and SiTe are studied using an effective isotopic error compensation (IEC) approach. More than 200 new rotational transition frequencies are predicted for 20 of the above isotopologues using high-precision experimental data of the relevant isotopologues. The results show that the IEC approach can produce far more accurate rotational transition frequencies than the semi-classical isotope relation if the Born–Oppenheimer breakdown correction coefficients are ignored.  相似文献   

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The Einstein-Rosen matter is given by a space-time V4 in which the domains z < 0 and z > 0 are isometric. But, on the hypersurface z = 0 the Riemannian tensor Riklm and the Ricci tensor Rkl become delta-like infinite. On this surface the first derivations of the metric tensor gik have essential discontinuities. Therefore, it is impossible to cover the small domain –ε ≤ z ≤ +ε with one coordinate system of the class C2.  相似文献   

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