Choice of hybrid functional and basis set optimization to calculate the structural, electronic, mechanical, and vibrational properties of BaSnO3-Reference-Cited by-同舟云学术

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Choice of hybrid functional and basis set optimization to calculate the structural, electronic, mechanical, and vibrational properties of BaSnO3

Published:2016-05-20 Issue:6 Volume:135 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Duarte Thiago M.,Buzolin Prescila G. C.,Santos Ieda M. G.,Longo Elson,Sambrano Julio R.

Funder

CNPq, CAPES/PROCAD, FAPESP

CAPES/PROCAD

CNPq, CAPES/PROCAD

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-016-1901-1.pdf

Reference59 articles.

1. Balamurugan K, Harish Kumar N, Ramachandran B et al (2009) Magnetic and optical properties of Mn-doped BaSnO3. Solid State Commun 149:884–887

2. Cerdà J, Arbiol J, Diaz R et al (2002) Synthesis of perovskite-type BaSnO3 particles obtained by a new simple wet chemical route based on a sol–gel process. Mater Lett 56:131–136

3. Lu W, Jiang S, Zhou D, Gong S (2000) Structural and electrical properties of Ba(Sn, Sb)O3 electroceramics materials. Sens Actuators A Phys 80:35–37

4. Maekawa T, Kurosaki K, Yamanaka S (2006) Thermal and mechanical properties of polycrystalline BaSnO3. J Alloys Compd 416:214–217

5. Zhang WF, Tang J, Ye J (2006) Photoluminescence and photocatalytic properties of SrSnO3 perovskite. Chem Phys Lett 418:174–178

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