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• W4379653620 abstract "Carbon can form versatile allotropes due to its multiple bonding connections and the prediction of new carbon structures and properties has long been a hot topic. In 1983, Hoffmann et al. [J. Am. Chem. Soc. 105, 4831 (1983)] have reported an all-$s{p}^{2}$ hybridized carbon allotrope with a 16-atom body-centered-tetragonal unit cell in $mathrm{I}{4}_{1}/mathrm{amd}$ (${D}_{4h}^{19}$) symmetry, which is dubbed as cT16 carbon in this work. Here we report by ab initio calculations a systematical study on the structural, energetic, dynamical, and electronic properties of cT16 carbon. Interestingly, cT16 carbon is linked with all-ten-membered carbon rings. The phonon band spectrum calculations confirm its dynamical stability and ab initio molecular dynamics simulations prove its thermal stability up to 900 K. Previously cT16 carbon was widely considered as a simple metallic carbon. However, our detailed electronic band structures calculations reveal that cT16 is actually a topological nodal line semimetal with a large closed nodal ring centering the high-symmetric $mathrm{ensuremath{Gamma}}$ point. It nearly encloses the entire ${k}_{z}=0$ mirror plane, thus the drumheadlike surface bands can nearly cover the entire projected ($11overline{1}$) surface Brillouin zone, which makes cT16 carbon an ideal nodal line semimetal. The simulated x-ray diffraction pattern of cT16 carbon matches well with one of the previously unexplained experimental peaks found in the diamond rich coatings grown on the stainless steel substrate. Our findings have provided insight for this well-known cT16 carbon, enriched the family of carbon allotropes with exotic topological electronic properties, suggested a viable route for its synthesis, and also provided an reasonable explanation for previous experimental data." @default.
• W4379653620 created "2023-06-08" @default.
• W4379653620 creator A5001961094 @default.
• W4379653620 creator A5036337919 @default.
• W4379653620 date "2023-06-07" @default.
• W4379653620 modified "2023-10-15" @default.
• W4379653620 title "Topological nodal line semimetal with large nodal ring in an all- <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mi>s</mml:mi><mml:msup><mml:mi>p</mml:mi><mml:mn>2</mml:mn></mml:msup></mml:mrow></mml:math> hybridized carbon network formed by all-ten-membered carbon rings" @default.
• W4379653620 cites W11476871 @default.
• W4379653620 cites W1517527671 @default.
• W4379653620 cites W1519466213 @default.
• W4379653620 cites W1538825449 @default.
• W4379653620 cites W1552981254 @default.
• W4379653620 cites W1781606086 @default.
• W4379653620 cites W1800890817 @default.
• W4379653620 cites W1904914631 @default.
• W4379653620 cites W1924841494 @default.
• W4379653620 cites W1944815762 @default.
• W4379653620 cites W1964076534 @default.
• W4379653620 cites W1966193857 @default.
• W4379653620 cites W1970127494 @default.
• W4379653620 cites W1974625158 @default.
• W4379653620 cites W1981252083 @default.
• W4379653620 cites W1981368803 @default.
• W4379653620 cites W1982133696 @default.
• W4379653620 cites W1994864741 @default.
• W4379653620 cites W2001532204 @default.
• W4379653620 cites W2017196167 @default.
• W4379653620 cites W2018211524 @default.
• W4379653620 cites W2018858346 @default.
• W4379653620 cites W2020332193 @default.
• W4379653620 cites W2042938036 @default.
• W4379653620 cites W2058122340 @default.
• W4379653620 cites W2066325683 @default.
• W4379653620 cites W2070063446 @default.
• W4379653620 cites W2073047667 @default.
• W4379653620 cites W2077451629 @default.
• W4379653620 cites W2083222334 @default.
• W4379653620 cites W2085093563 @default.
• W4379653620 cites W2088925839 @default.
• W4379653620 cites W2089269284 @default.
• W4379653620 cites W2102074887 @default.
• W4379653620 cites W2105685140 @default.
• W4379653620 cites W2117195161 @default.
• W4379653620 cites W2121624572 @default.
• W4379653620 cites W2139060521 @default.
• W4379653620 cites W2327468287 @default.
• W4379653620 cites W2338782110 @default.
• W4379653620 cites W2345608233 @default.
• W4379653620 cites W2382658201 @default.
• W4379653620 cites W2494547101 @default.
• W4379653620 cites W2505134980 @default.
• W4379653620 cites W2519537844 @default.
• W4379653620 cites W2576883231 @default.
• W4379653620 cites W2595688496 @default.
• W4379653620 cites W2598009386 @default.
• W4379653620 cites W2611395271 @default.
• W4379653620 cites W2620833501 @default.
• W4379653620 cites W2626588939 @default.
• W4379653620 cites W2735318525 @default.
• W4379653620 cites W2755974218 @default.
• W4379653620 cites W2784246377 @default.
• W4379653620 cites W2787584289 @default.
• W4379653620 cites W2792384205 @default.
• W4379653620 cites W2793369479 @default.
• W4379653620 cites W2809160520 @default.
• W4379653620 cites W2810556216 @default.
• W4379653620 cites W2884381403 @default.
• W4379653620 cites W2886583066 @default.
• W4379653620 cites W2889991337 @default.
• W4379653620 cites W2892202557 @default.
• W4379653620 cites W2897037748 @default.
• W4379653620 cites W2902219018 @default.
• W4379653620 cites W2922659455 @default.
• W4379653620 cites W2923477352 @default.
• W4379653620 cites W2942497265 @default.
• W4379653620 cites W2943261621 @default.
• W4379653620 cites W2943719203 @default.
• W4379653620 cites W2947778812 @default.
• W4379653620 cites W2958987909 @default.
• W4379653620 cites W2972593868 @default.
• W4379653620 cites W2983066287 @default.
• W4379653620 cites W3022070743 @default.
• W4379653620 cites W3047000178 @default.
• W4379653620 cites W3088675331 @default.
• W4379653620 cites W3099293803 @default.
• W4379653620 cites W3101428363 @default.
• W4379653620 cites W3103297205 @default.
• W4379653620 cites W3105176929 @default.
• W4379653620 cites W3105610351 @default.
• W4379653620 cites W3108833203 @default.
• W4379653620 cites W3121845213 @default.
• W4379653620 cites W3121964595 @default.
• W4379653620 cites W3123129621 @default.
• W4379653620 cites W3129792220 @default.
• W4379653620 cites W3140841335 @default.
• W4379653620 cites W3186127064 @default.
• W4379653620 cites W3208391049 @default.
• W4379653620 cites W3213760361 @default.
• W4379653620 cites W4206147970 @default.
• W4379653620 cites W4210262674 @default.

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