نتایج جستجو برای: tetragonal structure

تعداد نتایج: 1570279  

Structural and electronic properties of double perovskites Sr2BWO6 (B = Co, Ni, Cu)  were studied  for each of three magnetic configurations nonmagnetic, ferromagnetic, and antiferromagnetic by using density functional theory in generalized gradient approximations (GGA) and strong correlation correction (GGA + U). Due to magnetic transition from antiferromagnetic to nonmagnetic phase, an electr...

Journal: :Journal of materials science 2011
Yang Xiang Rui Zhang Wenwu Cao

Electromechanical property measurements and microstructure observations using optical microscopy were performed on a [001] c oriented k33 resonator made of 91%Pb(Zn1/3Nb2/3)O3-9%PbTiO3 single crystal, which was polarized under different electric fields. At room temperature, when the poling field is 1100 V/mm, the electromechanical coupling factor k33 is 0.90 and piezoelectric coefficient d33 is...

Journal: :Acta crystallographica. Section D, Biological crystallography 1994
H L Axelrod G Feher J P Allen A J Chirino M W Day B T Hsu D C Rees

Cytochrome c(2) serves as the secondary electron donor that reduces the photo-oxidized bacteriochlorophyll dimer in photosynthetic bacteria. Cytochrome c(2) from Rhodobacter sphaeroides has been crystallized in three different forms. At high ionic strength, crystals of a hexagonal space group (P6(1)22) were obtained, while at low ionic strength, triclinic (P1) and tetragonal (P4(1)2(1)2) crysta...

2017
Lili Liu Xiaozhi Wu Rui Wang Zhengquan Hu Youchang Jiang Dingxing Liu

The pressure effects on the lattice parameters and elastic constants of the tetragonal RNi2B2C (R=Y, Lu) are investigated by means of the first principles. The predicted lattice constants and elastic constants of YNi2B2C and LuNi2B2C at 0 GPa agree well with the available data. By the elastic stability criteria under isotropic pressure, it is predicted that YNi2B2C and LuNi2B2C with tetragonal ...

2002
S. Hyun S. Torquato

The finite element method has been used to simulate the properties of panels with Kagom e and tetragonal cores under compressive and shear loading. The simulation has been performed for two different materials: a Cu-alloy with extensive strain hardening and an Al-alloy with minimal hardening. It is shown that the Kagom e core is more resistant to plastic buckling than the tetragonal core under ...

2011
Kaoru Miura Masaki Azuma Hiroshi Funakubo

We have investigated the role of the Ti-O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO3 as well as the role of the Zn-O Coulomb repulsions in BiZn0.5Ti0.5O3, using a first-principles calculation with optimized structures. In tetragonal BaTiO3, it is found that the Coulomb repulsions between Ti 3s and 3p states and O 2s and 2p states have an important role for the app...

Journal: :Nano letters 2009
Christopher R Iacovella Sharon C Glotzer

We report the results from a computational study of the self-assembly of amphiphilic ditethered nanospheres using molecular simulation. As a function of the interaction strength and directionality of the tether-tether interactions, we predict the formation of four highly ordered phases not previously reported for nanoparticle systems. We find a double diamond structure comprised of a zinc blend...

2002
J G Wen D Z Wang S X Yang Z F Ren

Microstructures of Tl 2 Ba 2 CuO 6 (Tl-2201) thin ®lms with di€erent doping levels grown on SrTiO 3 substrates were studied by transmission electron microscopy. It is found that Tl-2201 ®lms are epitaxial single phase over large area. A new three-dimensional modulation structure was observed for the heavily overdoped ®lms. With decrease of doping level from heavily overdoped to optimally doped,...

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