<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>0121-7488</journal-id>
<journal-title><![CDATA[Ciencia en Desarrollo]]></journal-title>
<abbrev-journal-title><![CDATA[Ciencia en Desarrollo]]></abbrev-journal-title>
<issn>0121-7488</issn>
<publisher>
<publisher-name><![CDATA[Universidad Pedagógica y Tecnológica de Colombia]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0121-74882017000100161</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Efectos de intercambio y correlación en las propiedades estructurales y electrónicas del TiO 2 en la fase rutilo]]></article-title>
<article-title xml:lang="en"><![CDATA[Exchange and correlation effects on the structural and electronic properties of TiO 2 on the rutile phase]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Mendoza Estrada]]></surname>
<given-names><![CDATA[Víctor]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Castaño González]]></surname>
<given-names><![CDATA[Edgar]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[González García]]></surname>
<given-names><![CDATA[Álvaro]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[González Hernández]]></surname>
<given-names><![CDATA[Rafael]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad del Norte Departamento de Física Grupo de Investigación en Física Aplicada]]></institution>
<addr-line><![CDATA[Barranquilla ]]></addr-line>
<country>Colombia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>06</month>
<year>2017</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>06</month>
<year>2017</year>
</pub-date>
<volume>8</volume>
<numero>1</numero>
<fpage>161</fpage>
<lpage>168</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_arttext&amp;pid=S0121-74882017000100161&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_abstract&amp;pid=S0121-74882017000100161&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_pdf&amp;pid=S0121-74882017000100161&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen En este trabajo, se estudiaron las propiedades estructurales y electrónicas del TiO2 en la fase rutilo a partir de cálculos de primeros principios. Los efectos de intercambio y correlación electrónica fueron estudiados utilizando funcionales en la aproximación de densidad local (LDA), la aproximación de gradiente generalizado (GGA) de Perdew-Burke-Ernzerhof (PBE), Perdew-Burke-Ernzerhof revised for solids (PBEsol), Perdew-Wang 91 (PW91) y revised Perdew-Burke-Ernzerhof (rPBE), y la aproximación de gradiente meta-generalizado (meta-GGA) de Tao-Perdew-Staroverov-Scuseria (TPSS) y revised-TPSS (RTPSS), en el marco de la Teoría del Funcional de la Densidad (DFT). Encontramos que el funcional PBEsol proporciona mejores resultados para el cálculo de los parámetros de red (a y c) y las longitudes ecuatorial y axial (d eq y d ax ); mientras que para la energía de cohesión (E coh ), el módulo volumétrico (B0) y los ángulos (2&#952; y &#945;) los funcionales PBE, rPBE y TPSS, respectivamente, se acercan más a los valores experimentales. Se confirma que el TiO2 presenta propiedades de semiconductor directo en &#1168; - &#1168;.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract In this work, we study the structural and electronic properties of TiO2 in the rutile phase based on first principles calculations. The electronic exchange and correlation effects were studied using functionals in the local density approximation (LDA), the generalized gradient approximation (GGA) by Perdew-Burke-Ernzerhof (PBE), Perdew-Burke-Ernzerhof revised for solids (PBEsol), Perdew-Wang 91 (PW91) and revised Perdew-Burke-Ernzerhof (rPBE), and the meta-generalized gradient approximation (meta-GGA) by Tao-Perdew-Staroverov-Scuseria (TPSS) and revised-TPSS (RTPSS) in the frame of the Density Functional Theory (DFT). We found that the PBEsol functional provides better results for the lattice parameter values (a y c) and the equatorial and axial lengths (d eq and d ax ); while for the cohesion energy (E coh ), volumetric module (B0) and angles (2&#952; y &#945;) the PBE, rPBE and TPSS functionals respectively, are closer to the experimental values. It is confirmed that the TiO2 presents properties of direct semiconductor in &#1168; - &#1168;.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[Cálculo de primeros principios]]></kwd>
<kwd lng="es"><![CDATA[DFT]]></kwd>
<kwd lng="es"><![CDATA[GGA]]></kwd>
<kwd lng="es"><![CDATA[meta-GGA]]></kwd>
<kwd lng="es"><![CDATA[rutilo]]></kwd>
<kwd lng="en"><![CDATA[First principles calculations]]></kwd>
<kwd lng="en"><![CDATA[DFT]]></kwd>
<kwd lng="en"><![CDATA[GGA]]></kwd>
<kwd lng="en"><![CDATA[meta-GGA]]></kwd>
<kwd lng="en"><![CDATA[rutile]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<label>[1]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Mikami]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Nakamura]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Kitao]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
<name>
<surname><![CDATA[Araka-wa]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Gonze]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["First-Principles Study of Titanium Dioxide: Rutile and Anatase"]]></article-title>
<source><![CDATA[Japanese Journal of Applied Physics]]></source>
<year>2000</year>
<volume>39</volume>
<page-range>847-50</page-range></nlm-citation>
</ref>
<ref id="B2">
<label>[2]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Muscat]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Swamy]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
<name>
<surname><![CDATA[Harrison]]></surname>
<given-names><![CDATA[Nicholas M]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["First-principles calculations of the phase stability of TiO2"]]></article-title>
<source><![CDATA[Physical Review B]]></source>
<year>2002</year>
<volume>65</volume>
<numero>1(15</numero>
<issue>1(15</issue>
<page-range>224112</page-range></nlm-citation>
</ref>
<ref id="B3">
<label>[3]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Burdett]]></surname>
<given-names><![CDATA[J. K.]]></given-names>
</name>
<name>
<surname><![CDATA[Hughbanks]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Miller]]></surname>
<given-names><![CDATA[G. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Richardson]]></surname>
<given-names><![CDATA[J. W.]]></given-names>
</name>
<name>
<surname><![CDATA[Smith]]></surname>
<given-names><![CDATA[J. V.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Structural-electronic relationships in inorganic solids: powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K"]]></article-title>
<source><![CDATA[Journal of the American Chemical Society]]></source>
<year>1987</year>
<volume>109</volume>
<page-range>3639-46</page-range></nlm-citation>
</ref>
<ref id="B4">
<label>[4]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wyckoff]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Crystal Structures"]]></article-title>
<source><![CDATA[Interscience]]></source>
<year>1964</year>
<volume>1</volume>
<edition>2nd</edition>
<publisher-loc><![CDATA[New York ]]></publisher-loc>
</nlm-citation>
</ref>
<ref id="B5">
<label>[5]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Rao]]></surname>
<given-names><![CDATA[K. V. K.]]></given-names>
</name>
<name>
<surname><![CDATA[Naidu]]></surname>
<given-names><![CDATA[S. V. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Iyengar]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Thermal Expansion of Rutile and Anatase"]]></article-title>
<source><![CDATA[Journal of the American Ceramic Society]]></source>
<year>1970</year>
<volume>53</volume>
<page-range>124-6</page-range></nlm-citation>
</ref>
<ref id="B6">
<label>[6]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Howard]]></surname>
<given-names><![CDATA[C. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Sabine]]></surname>
<given-names><![CDATA[T. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Dickson]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Structural and thermal parameters for rutile and anatase"]]></article-title>
<source><![CDATA[Acta Crystallographica Section B: structural Science]]></source>
<year>1991</year>
<volume>47</volume>
<page-range>462-8</page-range></nlm-citation>
</ref>
<ref id="B7">
<label>[7]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Labat]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Baranek]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Domain]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Minot]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Adamo]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals"]]></article-title>
<source><![CDATA[The Journal of Chemical Physics]]></source>
<year>2007</year>
<volume>126</volume>
<numero>1-12</numero>
<issue>1-12</issue>
<page-range>154703</page-range></nlm-citation>
</ref>
<ref id="B8">
<label>[8]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yin]]></surname>
<given-names><![CDATA[W. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Chen]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[J. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Gong]]></surname>
<given-names><![CDATA[X. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Yan]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Wei]]></surname>
<given-names><![CDATA[S. H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction"]]></article-title>
<source><![CDATA[Applied Physics Letters]]></source>
<year>2010</year>
<volume>96</volume>
<numero>1-3</numero>
<issue>1-3</issue>
<page-range>221901</page-range></nlm-citation>
</ref>
<ref id="B9">
<label>[9]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Glassford]]></surname>
<given-names><![CDATA[K. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Chelikowsky]]></surname>
<given-names><![CDATA[J. R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Structural and electronic properties of titanium dioxide"]]></article-title>
<source><![CDATA[Physical Review B]]></source>
<year>1992</year>
<volume>46</volume>
<page-range>1284-98</page-range></nlm-citation>
</ref>
<ref id="B10">
<label>[10]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Perdew]]></surname>
<given-names><![CDATA[J. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Zunger]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Self-interaction correction to density-functional approximations for many-electron systems"]]></article-title>
<source><![CDATA[Physical Review B]]></source>
<year>1981</year>
<volume>23</volume>
<page-range>5048-79</page-range></nlm-citation>
</ref>
<ref id="B11">
<label>[11]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Perdew]]></surname>
<given-names><![CDATA[J. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Burke]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Emzerhof]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Generalized Gradient Approximation Made Simple"]]></article-title>
<source><![CDATA[Physical Review Letters]]></source>
<year>1996</year>
<volume>77</volume>
<page-range>3865-8</page-range></nlm-citation>
</ref>
<ref id="B12">
<label>[12]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Perdew]]></surname>
<given-names><![CDATA[J. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Ruzsinszky]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Csonka]]></surname>
<given-names><![CDATA[G. I.]]></given-names>
</name>
<name>
<surname><![CDATA[Vydrov]]></surname>
<given-names><![CDATA[O. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Scuseria]]></surname>
<given-names><![CDATA[G. E.]]></given-names>
</name>
<name>
<surname><![CDATA[Constantin]]></surname>
<given-names><![CDATA[L. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhou]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[Burke]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces"]]></article-title>
<source><![CDATA[Physical Review Letters]]></source>
<year>2008</year>
<volume>100</volume>
<numero>1-4</numero>
<issue>1-4</issue>
<page-range>136406</page-range></nlm-citation>
</ref>
<ref id="B13">
<label>[13]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Perdew]]></surname>
<given-names><![CDATA[J. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Chevary]]></surname>
<given-names><![CDATA[J.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Vosko]]></surname>
<given-names><![CDATA[S. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Jackson]]></surname>
<given-names><![CDATA[K. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Pederson]]></surname>
<given-names><![CDATA[M. R.]]></given-names>
</name>
<name>
<surname><![CDATA[Singh]]></surname>
<given-names><![CDATA[D. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Fiolhais]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation"]]></article-title>
<source><![CDATA[Physical Review B]]></source>
<year>1992</year>
<volume>46</volume>
<page-range>6671-87</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>[14]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hammer]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Hansen]]></surname>
<given-names><![CDATA[L. B.]]></given-names>
</name>
<name>
<surname><![CDATA[Norskov]]></surname>
<given-names><![CDATA[J. K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals"]]></article-title>
<source><![CDATA[Physical Review B]]></source>
<year>1999</year>
<volume>59</volume>
<page-range>7413-21</page-range></nlm-citation>
</ref>
<ref id="B15">
<label>[15]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Tao]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Perdew]]></surname>
<given-names><![CDATA[J. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Staroverov]]></surname>
<given-names><![CDATA[V. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Scuseria]]></surname>
<given-names><![CDATA[G. E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Climbing the Density Functional Ladder: Nonempirical Meta-Generalized Gradient Approximation Designed for Molecules and Solids"]]></article-title>
<source><![CDATA[Physical Review Letters]]></source>
<year>2003</year>
<volume>91</volume>
<numero>1-4</numero>
<issue>1-4</issue>
<page-range>146401</page-range></nlm-citation>
</ref>
<ref id="B16">
<label>[16]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Perdew]]></surname>
<given-names><![CDATA[J. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Ruzsinszky]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Csonka]]></surname>
<given-names><![CDATA[G. I.]]></given-names>
</name>
<name>
<surname><![CDATA[Constantin]]></surname>
<given-names><![CDATA[L. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Sun]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Workhorse Semilo-cal Density Functional for Condensed Matter Physics and Quantum Chemistry"]]></article-title>
<source><![CDATA[Physical Review Letters]]></source>
<year>2009</year>
<volume>103</volume>
<numero>1-4</numero>
<issue>1-4</issue>
<page-range>026403</page-range></nlm-citation>
</ref>
<ref id="B17">
<label>[17]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Anisimov]]></surname>
<given-names><![CDATA[V. I.]]></given-names>
</name>
<name>
<surname><![CDATA[Zaane]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Andersen]]></surname>
<given-names><![CDATA[O. K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Band theory and Mott insulators: Hubbard U instead of Stoner I"]]></article-title>
<source><![CDATA[Physical Review B]]></source>
<year>1991</year>
<volume>44</volume>
<page-range>943-54</page-range></nlm-citation>
</ref>
<ref id="B18">
<label>[18]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kresse]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Hafner]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["Ab initio molecular dynamics for liquid metals"]]></article-title>
<source><![CDATA[Physical Review B]]></source>
<year>1993</year>
<volume>47</volume>
<page-range>558-61</page-range></nlm-citation>
</ref>
<ref id="B19">
<label>[19]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Murnaghan]]></surname>
<given-names><![CDATA[F. D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["The compressibility of media under extreme pressures"]]></article-title>
<source><![CDATA[Proceedings of the National Academy Science]]></source>
<year>1944</year>
<volume>30</volume>
<page-range>244247</page-range></nlm-citation>
</ref>
<ref id="B20">
<label>[20]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Arlt]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Bermejo]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Blanco]]></surname>
<given-names><![CDATA[M. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Gerward]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Jiang]]></surname>
<given-names><![CDATA[J. Z.]]></given-names>
</name>
<name>
<surname><![CDATA[Staun Olsen]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Recio]]></surname>
<given-names><![CDATA[J. M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA["High-pressure polymorphs of anatase TiO2"]]></article-title>
<source><![CDATA[Physical Review B]]></source>
<year>2000</year>
<volume>61</volume>
<page-range>14414-9</page-range></nlm-citation>
</ref>
<ref id="B21">
<label>[21]</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Weast]]></surname>
<given-names><![CDATA[R. C.]]></given-names>
</name>
</person-group>
<source><![CDATA["CRC Handbook of Chemistry and physics"]]></source>
<year>1983</year>
<edition>64</edition>
<publisher-loc><![CDATA[Boca Raton, FL ]]></publisher-loc>
</nlm-citation>
</ref>
</ref-list>
</back>
</article>
