First Principles Computations of Second-Order Elastic Constants (SOEC) and Equations of State of Rutile 
                TiO<sub>2</sub>

<table>The rutile <svg height="14.7125" id="M82" style="vertical-align:-3.13504pt" version="1.1" viewbox="0 0 31.25 14.7125" width="31.25" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,14.7125)">
<g transform="translate(72,-60.23)">
<text transform="matrix(1,0,0,-1,-71.95,63.41)">
<tspan style="font-size: 12.50px; " x="0" y="0">T</tspan>
<tspan style="font-size: 12.50px; " x="7.5268059" y="0">i</tspan>
<tspan style="font-size: 12.50px; " x="11.00264" y="0">O</tspan>
</text>
<text transform="matrix(1,0,0,-1,-51.92,60.28)">
<tspan style="font-size: 8.75px; " x="0" y="0">2</tspan>
</text>
</g>
</g>
</svg> crystalline structure is shown. <svg height="10.8" id="M83" style="vertical-align:-0.0pt" version="1.1" viewbox="0 0 13.875 10.8" width="13.875" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,10.8)">
<g transform="translate(72,-63.36)">
<text transform="matrix(1,0,0,-1,-71.95,63.41)">
<tspan style="font-size: 12.50px; " x="0" y="0">T</tspan>
<tspan style="font-size: 12.50px; " x="7.5268059" y="0">i</tspan>
</text>
</g>
</g>
</svg> and <svg height="10.9125" id="M84" style="vertical-align:-0.17554pt" version="1.1" viewbox="0 0 11.4125 10.9125" width="11.4125" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,10.9125)">
<g transform="translate(72,-63.27)">
<text transform="matrix(1,0,0,-1,-71.95,63.5)">
<tspan style="font-size: 12.50px; " x="0" y="0">O</tspan>
</text>
</g>
</g>
</svg> atoms are shown as grey and red spheres. The distorted octahedral is formed between <svg height="10.8" id="M85" style="vertical-align:-0.0pt" version="1.1" viewbox="0 0 13.875 10.8" width="13.875" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,10.8)">
<g transform="translate(72,-63.36)">
<text transform="matrix(1,0,0,-1,-71.95,63.41)">
<tspan style="font-size: 12.50px; " x="0" y="0">T</tspan>
<tspan style="font-size: 12.50px; " x="7.5268059" y="0">i</tspan>
</text>
</g>
</g>
</svg> and <svg height="10.9125" id="M86" style="vertical-align:-0.17554pt" version="1.1" viewbox="0 0 11.4125 10.9125" width="11.4125" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,10.9125)">
<g transform="translate(72,-63.27)">
<text transform="matrix(1,0,0,-1,-71.95,63.5)">
<tspan style="font-size: 12.50px; " x="0" y="0">O</tspan>
</text>
</g>
</g>
</svg> atoms.</table>

Physics Research International

fig1

Figure 1

Figure 1: First Principles Computations of Second-Order Elastic Constants (SOEC) and Equations of State of Rutile 
                TiO<sub>2</sub> 

Physics Research International

First Principles Computations of Second-Order Elastic Constants (SOEC) and Equations of State of Rutile TiO2

Figure 1

First Principles Computations of Second-Order Elastic Constants (SOEC) and Equations of State of Rutile TiO₂