A First Principle Calculation of Full-Heusler Alloy Co<sub><b>2</b></sub>TiAl: LSDA+<svg style="vertical-align:-0.234pt;width:18.387501px;" id="M1" height="15.05" version="1.1" viewBox="0 0 18.387501 15.05" width="18.387501" xmlns="http://www.w3.org/2000/svg"><g transform="matrix(1.25,0,0,-1.25,0,15.05)"><g transform="translate(72,-59.96)"><text transform="matrix(1,0,0,-1,-71.95,60.24)"><tspan style="font-size: 17.93px; " x="0" y="0">𝑈</tspan></text></g></g></svg> Method

<table>(a) Plot of <svg height="14.2375" id="M95" style="vertical-align:-3.13504pt" version="1.1" viewbox="0 0 26.0875 14.2375" width="26.0875" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,14.2375)">
<g transform="translate(72,-60.61)">
<text transform="matrix(1,0,0,-1,-71.95,63.79)">
<tspan style="font-size: 12.50px; " x="0" y="0">𝑀</tspan>
</text>
<text transform="matrix(1,0,0,-1,-59.38,60.66)">
<tspan style="font-size: 8.75px; " x="0" y="0">T</tspan>
<tspan style="font-size: 8.75px; " x="5.2687039" y="0">i</tspan>
</text>
</g>
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</svg> versus <svg height="10.5375" id="M96" style="vertical-align:-0.16302pt" version="1.1" viewbox="0 0 12.8625 10.5375" width="12.8625" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,10.5375)">
<g transform="translate(72,-63.57)">
<text transform="matrix(1,0,0,-1,-71.95,63.79)">
<tspan style="font-size: 12.50px; " x="0" y="0">𝑈</tspan>
</text>
</g>
</g>
</svg> Ry. (b) Plot of (<svg height="14.35" id="M97" style="vertical-align:-3.22281pt" version="1.1" viewbox="0 0 27.9 14.35" width="27.9" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,14.35)">
<g transform="translate(72,-60.52)">
<text transform="matrix(1,0,0,-1,-71.95,63.79)">
<tspan style="font-size: 12.50px; " x="0" y="0">𝑀</tspan>
</text>
<text transform="matrix(1,0,0,-1,-59.38,60.66)">
<tspan style="font-size: 8.75px; " x="0" y="0">t</tspan>
<tspan style="font-size: 8.75px; " x="2.4155519" y="0">o</tspan>
<tspan style="font-size: 8.75px; " x="6.7215362" y="0">t</tspan>
</text>
</g>
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</svg> and <svg height="14.3875" id="M98" style="vertical-align:-3.25792pt" version="1.1" viewbox="0 0 29.225 14.3875" width="29.225" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,14.3875)">
<g transform="translate(72,-60.49)">
<text transform="matrix(1,0,0,-1,-71.95,63.79)">
<tspan style="font-size: 12.50px; " x="0" y="0">𝑀</tspan>
</text>
<text transform="matrix(1,0,0,-1,-59.38,60.66)">
<tspan style="font-size: 8.75px; " x="0" y="0">C</tspan>
<tspan style="font-size: 8.75px; " x="5.837584" y="0">o</tspan>
</text>
</g>
</g>
</svg>) versus <svg height="10.5375" id="M99" style="vertical-align:-0.16302pt" version="1.1" viewbox="0 0 12.8625 10.5375" width="12.8625" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,10.5375)">
<g transform="translate(72,-63.57)">
<text transform="matrix(1,0,0,-1,-71.95,63.79)">
<tspan style="font-size: 12.50px; " x="0" y="0">𝑈</tspan>
</text>
</g>
</g>
</svg> Ry.</table>

International Scholarly Research Notices

fig3

Figure 3

Figure 3: A First Principle Calculation of Full-Heusler Alloy Co<sub><b>2</b></sub>TiAl: LSDA+<svg style="vertical-align:-0.234pt;width:18.387501px;" id="M1" height="15.05" version="1.1" viewBox="0 0 18.387501 15.05" width="18.387501" xmlns="http://www.w3.org/2000/svg"><g transform="matrix(1.25,0,0,-1.25,0,15.05)"><g transform="translate(72,-59.96)"><text transform="matrix(1,0,0,-1,-71.95,60.24)"><tspan style="font-size: 17.93px; " x="0" y="0">𝑈</tspan></text></g></g></svg> Method 

International Scholarly Research Notices

A First Principle Calculation of Full-Heusler Alloy Co2TiAl: LSDA+𝑈 Method

Figure 3

A First Principle Calculation of Full-Heusler Alloy Co₂TiAl: LSDA+ Method