Publication Date:
2011-04-15
Description:
Author(s): Yu-Ning Wu, Lan Li, and Hai-Ping Cheng Using density functional theory (DFT) with generalized gradient approximations (GGA) and the projector-augmented wave method, we have investigated the structure, energetics, elastic tensors, and mechanical properties of four crystalline forms of Ta_{2} O_{5} with exact stoichiometry as well as a mod... [Phys. Rev. B 83, 144105] Published Thu Apr 14, 2011
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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