Full Length Research Paper
References
Baroni S, Giannozzi P, Testa A (1987). Greens-function approach to linear response in solids Physical Review Letters 58:1861. |
|
Born M, Huang K (1954). Dynamics Theory of Crystal Lattices, Oxford University Press. |
|
Bouhafs B, Aourag H, Certier M (2000). Trends in band-gap pressure coefficients in boron compounds BP, BAs and BSb Journal of Physics: Condensed Matter 12:5655. |
|
Clerc DG (1999). Ab initio elastic properties of diamond-like materials: electronic factors that determine a high bulk modulus Journal of Physics and Chemistry of Solids 60:103. |
|
Dridi Z, Bouhafs B, Ruterana P (2002). Pressure dependence of energy band gaps for AlxGa1-xN, InxGa1-xN and InxAl1-xN. New Journal of Physics 4(94):1-94.15. |
|
Gao FM, He JL, Wu ED, Liu SM, Yu DL, Li DC, Zhang SY, Tian YJ (2003). Hardness of Covalent Crystals Physical Review Letters 91:015502. |
|
Gao Y, Wu Y, Huang Q, Ma M, Pan Y, Xiong M, Li Z, Zhao Z, He J, Yu D (2017). Superhard sp2-sp3 hybridized BC2N: A 3D crystal with 1D and 2D alternate metallicity Journal of Applied Physics. 121: 225103. |
|
Gao Y, Wu Y, Huang Q, Ma M, Pan Y, Xiong M, Li Z, Zhao Z, He J, Yu D (2018). First principles studies of superhard BC6N phases with unexpected 1D metallicity. Computational Materials Science 148:157. |
|
Gao B, Gao P, Lu S, Lv J, Wang Y, Ma Y (2019). Interface structure prediction via CALYPSO method Science Bulletin 64:301. |
|
Giannozzi P, de Gironcoli S, Pavone P, Baroni S (1991). Ab initio calculation of phonon dispersions in semiconductors Physical Review B 43:7231. |
|
Giannozzi P, Baroni S, Bonini N, Calandra M, Car R, Cavazzoni C, Ceresoli D, Chiarotti GI, Cococcioni M, Dabo I, Dal Corso A, de Gironcoli S, Fabris S, Fratesi G, Gebauer R, Gerstmann U, Gougoussis C, Kokalj A, Lazzeri M, Martin-Samos I, Marzari N, Mauri F, Mazzarello R, Paolini S, Pasquarello A, Paulatto I, Sbraccia C, Scandolo S, Sclauzero G, Seitsonen AP, Smogunov A, Umari P, Wentzcovitch RM (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Journal of Physics: Condensed Matter 21:395502. |
|
Golesorkhtabar R, Pavone P, Spitaler J, Puschnig P, Draxl C (2013). ElaStic: A tool for calculating second-order elastic constants from first principles Computer Physics Communications 184: 1861. |
|
Guennebaud G, Jacob B (2010). Eigen v3, |
|
Guo XJ, Liu ZY, Luo XG, Yu DL, He JL, Tian YJ, Sun J, Wang HT (2007). Theoretical hardness of the cubic BC2N. Diamond and Related Materials 16:526. |
|
Guo X, Li L, Liu Z, Yu D, He J, Liu R, Xu B, Tian Y, Wang HT (2008). Hardness of covalent compounds: Roles of metallic component and valence electrons Journal of Applied Physics 104:023503. |
|
Habanyama A, Msikita M, Simfukwe J, Baliga GT, Mumba NK, Mulenga M, Samukonga G (2018). Study of ultra-hard materials of the B-C-N-O quaternary system. Results in Physics 11:984-993. |
|
Habanyama A, Samukonga G (2021). Electronic properties, high pressure phase stability and elastic anisotropy of BC5. Scientific African, Elsevier 11:e00710. |
|
He JL, Guo LC, Wu E, Luo XG, Tian YL (2004). First-principles study of B2CN crystals deduced from the diamond structure Journal of Physics: Condensed Matter 16:8131. |
|
He JL, Wu ED, Wang HT, R. Liu RP, Tian YJ (2005). Ionicities of Boron-Boron Bonds in B12 Icosahedra Physical Review Letters 94:015504. |
|
He XL, Shao X, Chen T, Tai YK, Weng X J, Chen Q, Dong X, Gao G, Sun J, Zhou XF, Tian Y, Wang HT (2019). Predicting three-dimensional icosahedron-based boron B60 Physical Review B: 99:184111. |
|
Hill R (1963). Elastic properties of reinforced solids: some theoretical principles, Journal of the Mechanics and Physics of Solids 11:357. |
|
Hu M, He J, Zhao Z, Strobel TA, Hu W, Yu D, Sun H, Liu L, Li Z, Ma M, Kono Y, Shu J, Mao H, Fei Y, Shen G, Wang Y, Juhl SJ, Huang JY, Liu Z, Xu B, Tian Y (2017). Compressed glassy carbon: An ultrastrong and elastic interpenetrating graphene network Science Advances 3:e1603213. |
|
Hu YJ, Xu SL, Wang H, Liu H, Xu XC, Cai YX (2016). Superhard BC2N: An orthogonal crystal obtained by transversely compressing (3,0)-CNTs and (3,0)-BNNTs. Chinese Physics Letters 33:106102. |
|
John P, Polwart N, Troupe CE, Wilson JIB (2002). The oxidation of (100) textured diamond Diamond and Related Materials 11:861. |
|
Kagi H, Tsuchida I, Masuda Y, Okuda M, Katsura K, Wakatsuki M (1996). Proceedings of the Fifteenth AIRAPT International Conference edited by Trzeciakowski WA ~World Scientific, Singapore pp. 258-260. |
|
Kokalj A (2003). Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale Computational Materials Science 28:155. |
|
Ledbetter H, Migliori A (2006). A general elastic-anisotropy measure Journal of Applied Physics. 100: 063516. |
|
Li P, Gao G, Wang Y, Ma Y (2010). Crystal Structures and Exotic Behavior of Magnesium under Pressure Journal of Physical Chemistry 114:21745. |
|
Lowther JE (2000). Superhard materials. Physica Status Solidi, (b). 217(1), 533-543. |
|
Luo X, Guo X, Liu Z, He J, Yu D, Xu B, Tian Y, Wang H (2007a). First-principles study of wurtzite BC2N Physical Review B 76: 092107. |
|
Luo X, Guo X, Xu B, Wu Q, Hu Q, Liu Z, He J, Yu D, Tian Y, Wang H (2007b). Body-centered superhard BC2N phases from first principles. Physical Review B 76:094103. |
|
Monkhorst HJ, Pack JD (1976). Special points for Brillouin-zone integrations Physical Review B. 13: 5188. |
|
Mouhat F, Coudert FX (2014). Necessary and sufficient elastic stability conditions in various crystal systems Physical Review B 90:224104. |
|
Nakano S (1996). Proceedings of the NIRIM International Symposium on Advanced Materials ~NIRIM, Tsukuba, Japan pp. 287-292. |
|
Nassau K, Nassau J (1979). The history and present status of synthetic diamond. Journal of Crystal Growth 46(2):157-172. |
|
Nozaki H, Itoh S (1996). Structural stability of BC2N. Journal of Physics and Chemistry of Solids 57:41-49. |
|
Perdew JP, Burke K, Ernzerhof M (1996). Generalized Gradient Approximation Made Simple Physical Review Letters 77:3865. |
|
Pugh SF (1954). Relations between the elastic moduli and the plastic properties of polycrystalline pure metals. The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science 45(367):823-843. |
|
Ranganathan SI, Ostoja-Starzewski M (2008). Physical Review Letters, The American Physical Society 101:055504. |
|
Reuss A, Angew Z (1929). Berechnung der Fliessgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle. ZAMM-Journal of Applied Mathematics and Mechanics/Zeitschrift für Angewandte Mathematik und Mechanik 9:49-58. |
|
Singh BP (1986). Characterization of cubic boron nitride compacts Materials Research Bulletin 21:85. |
|
Solozhenko VL, Andrault D, Fiquet G, Mezouar M, Rubie DC (2001). Synthesis of superhard cubic BC2N. Applied Physics Letters 78:1385. |
|
Solozhenko VL, Gregoryanz E (2005). Synthesis of Superhard Materials. Materials Today 8:44. |
|
Stavrou E, Lobanov S, Dong H, Oganov AR, Prakapenka VB, Konˆopkov'a Z, Goncharov AF (2016). Synthesis of Ultra-incompressible sp3 Hybridized Carbon Nitride with 1:1 Stoichiometry. Chemistry of Materials 28:6925. |
|
Su C, Lv J, Li Q, Wang H, Zhang L, Wang Y, Ma Y (2017). Construction of crystal structure prototype database: Methods and Applications Journal of Physics: Condensed Matter 29:165901. |
|
Sun H, Jhi SH, Roundy D, Cohen ML, Louie SG (2001). Structural forms of cubic BC2N. Physical Review B. 64(9):094108. |
|
Togo A, Tanaka I (2015). First principles phonon calculations in materials science Scripta Materialia 108:1-5. |
|
Voigt W (1928). Lehrbuch der kristallphysik (mit ausschluss der kristalloptik), edited by bg teubner and jw edwards, leipzig berlin. Ann Arbor, Mich. |
|
Wang Y, Lv J, Zhu L, Ma Y (2012). CALYPSO: A method for crystal structure prediction. Computer Physics Communications 183(10):2063-2070. |
|
Wang Y, Lv J, Li Q, Wang H, Ma Y (2019). Handbook of Materials Modeling, Springer International Publishing pp. 1-28. |
|
Zhao Y, He DW, Daemen LL, Shen TD, Schwarz RB, Zhu Y, Bish DL, Huang J, Zhang J, Shen G, Qian J, Zerda TW (2002). (Superhard B-C-N materials synthesized in nanostructured bulks Journal of Materials Research 17:3139. |
|
Zhao Z, Xu B, Tian Y (2016). Recent Advances in Superhard Materials Annual Review of Materials Research 46:383-406. |
Copyright © 2025 Author(s) retain the copyright of this article.
This article is published under the terms of the Creative Commons Attribution License 4.0