Theoretical Study of Carbon Clusters in Silicon Carbide Nanowires

<table>Relative formation energies (<svg height="11.425" id="M86" style="vertical-align:-0.0pt" version="1.1" viewbox="0 0 23.887501 11.425" width="23.887501" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
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l-26 29t-28 35.5l-23 37.5t-20.5 43t-12 45.5t-5.5 51q0 133 88 218.5t219 85.5q132 0 218 -83t86 -218q0 -40 -11.5 -78t-33 -71.5t-39 -56t-44 -51t-32.5 -35.5h84q35 0 48 12t31 63z" id="x3A9"></path></g>
</svg>) of the most stable C defects in Si-coated <svg height="14.85" id="M87" style="vertical-align:-2.22495pt" version="1.1" viewbox="0 0 36.337502 14.85" width="36.337502" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,12.012)"><path d="M290 -163h-170v866h170v-28q-79 -7 -94 -19.5t-15 -72.5v-627q0 -59 14.5 -71.5t94.5 -19.5v-28z" id="x5B"></path></g><g transform="matrix(.017,-0,0,-.017,5.927,12.012)"><path d="M384 0h-275v27q67 5 81.5 18.5t14.5 68.5v385q0 38 -7.5 47.5t-40.5 10.5l-48 2v24q85 15 178 52v-521q0 -55 14.5 -68.5t82.5 -18.5v-27z" id="x31"></path></g><g transform="matrix(.017,-0,0,-.017,14.086,12.012)"><path d="M241 635q53 0 94 -28.5t63.5 -76t33.5 -102.5t11 -116q0 -58 -11 -112.5t-34 -103.5t-63.5 -78.5t-94.5 -29.5t-95 28t-64.5 75t-34.5 102.5t-11 118.5q0 58 11.5 112.5t34.5 103t64.5 78t95.5 29.5zM238 602q-32 0 -55.5 -25t-35.5 -68t-17.5 -91t-5.5 -105
q0 -76 10 -138.5t37 -107.5t69 -45q32 0 55.5 25t35.5 68.5t17.5 91.5t5.5 105t-5.5 105.5t-18 92t-36 68t-56.5 24.5z" id="x30"></path></g><g transform="matrix(.017,-0,0,-.017,22.246,12.012)"><path d="M241 635q53 0 94 -28.5t63.5 -76t33.5 -102.5t11 -116q0 -58 -11 -112.5t-34 -103.5t-63.5 -78.5t-94.5 -29.5t-95 28t-64.5 75t-34.5 102.5t-11 118.5q0 58 11.5 112.5t34.5 103t64.5 78t95.5 29.5zM238 602q-32 0 -55.5 -25t-35.5 -68t-17.5 -91t-5.5 -105
q0 -76 10 -138.5t37 -107.5t69 -45q32 0 55.5 25t35.5 68.5t17.5 91.5t5.5 105t-5.5 105.5t-18 92t-36 68t-56.5 24.5z" id="x30"></path></g><g transform="matrix(.017,-0,0,-.017,30.405,12.012)"><path d="M226 -163h-170v27q79 7 94 20t15 73v627q0 59 -15 72t-94 20v27h170v-866z" id="x5D"></path></g>
</svg> SiC NW. The vertical dashed line corresponds to the stoichiometric condition.</table>

Journal of Nanotechnology

Theoretical Study of Carbon Clusters in Silicon Carbide Nanowires

Figure 3