Misfit stress relaxation in wide bandgap semiconductor heterostructures with trigonal and hexagonal crystal structure

A new ternary compound Cu2SnTi3 has been synthesized by vacuum sintering at 900 °C. The atomic structures of CaCu5- and InNi2-like Cu2SnTi3 are calculated using density functional theory methods. The X-ray diffraction (XRD) analysis and selected area diffraction (SAD) patterns of the new ternary compound Cu2SnTi3 are considered to verify the atomic structures of CaCu5- and InNi2-like Cu2SnTi3. The results reveal that the InNi2-like Cu2SnTi3 model has the lowest total energy of −35.239 eV, representing the trigonal crystal structure. The orthorhombic crystal structure of the CaCu5-like Cu2SnTi3 model has the second lowest total energy of −33.926 eV. Our theoretical X-ray diffraction peak profiles of InNi2-like (CaCu5-like) Cu2SnTi3 are nearly identical to experimental one, leading to an error below 2.0% (3.0%). In addition, the hexagonal crystal structure of the CaCu5-like Cu2SnTi3 model has the highest total energy of −33.094 eV. The stability of the Cu2SnTi3 in terms of energy follows the order: the trigonal, orthorhombic, and hexagonal crystal structure.

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Synthesis and Characterization of Nanocrystalline ZnO Powders by a Novel Combustion Synthesis Method

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.152-153.674 ◽

2010 ◽

Vol 152-153 ◽

pp. 674-678 ◽

Cited By ~ 1

Author(s):

Bing Wang ◽

Li Dan Tang ◽

Jian Zhong Wang

Keyword(s):

Crystal Structure ◽

Combustion Synthesis ◽

Synthesis Method ◽

Synthesis And Characterization ◽

Particle Sizes ◽

Hexagonal Crystal Structure ◽

Hexagonal Crystal ◽

Zno Powders ◽

Scherrer Formula

Nanocrystalline ZnO powders have been synthesized by a novel combustion synthesis method using glycine and urea as mixed fuels and zinc nitrates as oxidant. The as-synthesized ZnO powders are characterized by DSC, XRD and SEM. Results show that the as-synthesized ZnO powders show well crystalline with hexagonal crystal structure and purity without any other impurities and the particle sizes are about 50~70nm calculated by the Scherrer formula.

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Molecular Cycles (H2O)n on the Substrates with Hexagonal Crystal Structure

Journal of Structural Chemistry ◽

10.1134/s0022476619010098 ◽

2019 ◽

Vol 60 (1) ◽

pp. 66-74

Author(s):

S. V. Shevkunov

Keyword(s):

Crystal Structure ◽

Hexagonal Crystal Structure ◽

Hexagonal Crystal

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Characterization of Zn0.96Al0.02Ga0.02O Thermoelectric Material

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.802.227 ◽

2013 ◽

Vol 802 ◽

pp. 227-231

Author(s):

Panida Pilasuta ◽

Pennapa Muthitamongkol ◽

Chanchana Thanachayanont ◽

Tosawat Seetawan

Keyword(s):

Crystal Structure ◽

Electron Microscopy ◽

Single Phase ◽

Hexagonal Structure ◽

Hexagonal Crystal Structure ◽

X Ray Diffraction ◽

Hexagonal Crystal ◽

X Ray ◽

Transmission Electron

Crystal structure of Zn0.96Al0.02Ga0.02O was analyzed by X-Ray diffraction (XRD) technique and the microstructure was observed by scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The XRD results showed single phase and hexagonal structure a = b = 3.24982 Å, and c = 5.20661 Å. The SEM and TEM results showed the grain size of material arrangement changed after sintering and TEM diffraction pattern confirmed hexagonal crystal structure of Zn0.96Al0.02Ga0.02O after sintering.

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