First-principles calculations of the pressure stability and elasticity of dense TiO2 phases Using the B3LYP hybrid functional

Varghese Swamy, Nicholas Wilson

Research output: Contribution to journal › Article › Research › peer-review

21 Citations (Scopus)

Original language	English
Pages (from-to)	8617 - 8625
Number of pages	9
Journal	Journal of Physical Chemistry C
Volume	118
Issue number	16
DOIs	https://doi.org/10.1021/jp411366q
Publication status	Published - 2014

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title = "First-principles calculations of the pressure stability and elasticity of dense TiO2 phases Using the B3LYP hybrid functional",

author = "Varghese Swamy and Nicholas Wilson",

year = "2014",

doi = "10.1021/jp411366q",

language = "English",

volume = "118",

pages = "8617 -- 8625",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

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T1 - First-principles calculations of the pressure stability and elasticity of dense TiO2 phases Using the B3LYP hybrid functional

AU - Swamy, Varghese

AU - Wilson, Nicholas

PY - 2014

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UR - http://pubs.acs.org/doi/pdf/10.1021/jp411366q

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DO - 10.1021/jp411366q

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SN - 1932-7447

VL - 118

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EP - 8625

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

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