Zhang Tao, Wu Li-Jie, Gu Yuan-Xin, Zheng Chao-De, Fan Hai-Fu
Chin. Phys. B 2010, 19 (9): 096101
There are two kinds of dual-space partial-model extensions which involve the direct-method program OASIS. The first kind, named SAD/SIR iteration, uses SAD/SIR information, while the second kind, named molecular replacement (MR) iteration, does not use that information. In general, the SAD/SIR itera...

Zhu Chen, Liu Jun-Ming
Chin. Phys. B 2010, 19 (9): 097702
The Ginzburg–Landau theory on ferroelectrics with random field induced by dipole defects is studied by using Monte Carlo simulation, in order to investigate the dipole configuration and the dielectric relaxation of relaxor ferroelectrics. With the increase of random field, the dipole configura...

Sun Jia-Tao, Pan Li-Da, Hu Hao, Du Shi-Xuan, Gao Hong-Jun
Chin. Phys. B 2010, 19 (9): 097809
We investigate the electronic structures of one and two monolayer iron phthalocyanine (FePc) molecules on Au(111) surfaces. The first monolayer FePc is lying flat on the Au(111) substrate, and the second monolayer FePc is tilted at ～15° relative to the substrate plane along the nearest neighbour [10...