如下FCC Ni单胞中有4个Ni原子因此VASP中设置磁矩为MAGMOM=4*2.0。 具体INCAR如下: ISTART = 1 (Read existing wavefunction, if there) ISPIN = 2 (Spin polarised DFT) MAGMOM = 4*2 (Set this parameters manually) LORBIT=11 LASPH = .TRUE. (Non-spherical elements, d/f convergence) GGA_COMPAT =...
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以FCC金属Ni为例，Ni的原子序数为28。Ni的最外层有8个3d电子。按照Pauling不相容原理，这些3d电子可以形成5对自旋相反的电子。因此，Ni原子具有2个未成对电子，其磁矩为2玻尔磁子（μB）。在VASP计算中，可以将磁矩设置为MAGMOM=4*2.0，即4个Ni原子的总磁矩。在计算过程中，INCAR文件可以详细设定...
美国 FCC NI-II Federal Communications Commission Office of Engineering and Technology Laboratory Division July 10, 2014 SOFTWARE SECURITY REQUIREMENTS FOR U-NII DEVICES I. INTRODUCTION On March 31, 2014, the Commission revised the rules in Part 15 that permits U-NII devices in the 5 GHz Band...
百度试题 结果1 题目写出镍(Ni,FCC)晶体中面间距为的晶面族指数。镍的点阵常数为。 相关知识点: 试题来源: 解析 解:由d=ayh2+k2+12得h2+k2+12=8∴晶面族指数为{220} 反馈 收藏
Zong ,Structural and magnetic properties of hcp and fcc Ni nanoparticles ,J . Alloys Com2 pd. 457 (2008) 6 - 9.Gong J, Wang LL, Liu Y, et al. Structural and magnetic properties of hcp and fcc Ni nanoparticles. J Alloys Compd 2008; 457: 6-9....
As a first example, we present the complex band structure of bulk fcc Ni (which constitutes the tips of a Ni nanocontact) and monatomic Ni wire (the junction between two tips). Based on our results, we anticipate some features of the spin-dependent conductance in a Ni nanocontact....
Chen, Z.K. Liu, Lattice parameters and local lattice distortions in fcc-Ni solutions, Metall. Mater. Trans. A 38 (2007) 562e569.Tao Wang,Long-Qing Chen,Zi-Kui Liu.  Lattice Parameters and Local Lattice Distortions in fcc-Ni Solutions[J]. Metallurgical and Materials Transactions A . ...
Ternary fcc Ni-Co-Al diffusion couples annealed at 1173K (900°C), 1373K (1100°C), and 1573K (1300°C) have been studied by using electron probe microanalysis. The interdiffusion coefficients were extracted using the Sauer–Freise and Whittle–Green methods from the measured concentration ...