International Journal of
Physical Sciences

  • Abbreviation: Int. J. Phys. Sci.
  • Language: English
  • ISSN: 1992-1950
  • DOI: 10.5897/IJPS
  • Start Year: 2006
  • Published Articles: 2574

Full Length Research Paper

Stability and elastic anisotropy of diamond related C8-yBy materials

G. Samukonga
  • G. Samukonga
  • Department of Physics, Copperbelt University, P. O. Box 21692, Jambo Drive, Riverside, Kitwe 10101, Zambia.
  • Google Scholar
A. Habanyama
  • A. Habanyama
  • Department of Physics, Copperbelt University, P. O. Box 21692, Jambo Drive, Riverside, Kitwe 10101, Zambia.
  • Google Scholar
N. K. Mumba
  • N. K. Mumba
  • Department of Physics, Copperbelt University, P. O. Box 21692, Jambo Drive, Riverside, Kitwe 10101, Zambia.
  • Google Scholar


  •  Received: 03 October 2020
  •  Accepted: 11 January 2021
  •  Published: 28 February 2021

References

Bao L, Qu D, Kong Z, Duan Y (2020). Predictions of structural, electronic, mechanical, and thermodynamic properties of TMBCs (TM= Ti, Zr, and Hf) ceramics. Journal of the American Ceramic Society 103(9):5232-5247.
Crossref

 

Bao W, Liu D, Daun Y (2018). A first-principles prediction of anisotropic elasticity and thermal properties of potential superhard WB3. Ceramics International 44(12):14053-14062.
Crossref

 

Baroni S, Giannozzi P, Testa A (1987). Green's-function approach to linear response in solids. Physical review letters 58(18):1861.
Crossref

 

Born M, Huang K (1954). Dynamics Theory of Crystal Lattices, Oxford University Press.

 

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(1):103-110.
Crossref

 

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 148:157-164.
Crossref

 

Ghosh A, Gusmão MS, Chaudhuri P, de Souza SM, Mota C, Trichês DM, Frota HO (2016). Electrical properties of SnSe under high-pressure. Computational Condensed Matter 9:77-81.
Crossref

 

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. IOP Publishing Ltd. Journal of Physics: Condensed Matter 21(39):395502.
Crossref

 

Giannozzi P, de Gironcoli S, Pavone P, Baroni S (1991). Ab initio calculation of phonon dispersions in semiconductors. Physical Review B 43(9):7231.
Crossref

 

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(8): 1861-1873.
Crossref

 

Habanyama A, Msikita M, Simfukwe J, Baliga GT, Mumba NK, Mulenga M Samukonga G (2018). Study of ultra-hard materials of the BCNO quaternary system. Results in Physics 11:984-993.
Crossref

 

He XL, Shao X, Chen T, Tai YK, Weng XJ, 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(18): 184111. 
Crossref

 

Hill R (1963). Elastic properties of reinforced solids: some theoretical principles. Journal of the Mechanics and Physics of Solids 11(5):357-372.
Crossref

 

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(10):106102.
Crossref

 

John P, Polwart N, Troupe CE, Wilson JIB (2002). The oxidation of (100) textured diamond. Diamond and related materials 11(3-6):861-866.
Crossref

 

Kohn W, Sham L (1965). Self-consistent equations including exchange and correlation effects. Physical review 140(4A):A1133.
Crossref

 

Kokalj A (2003). Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale. Computational Materials Science 28(2):155-168.
Crossref

 

Kvashnin AG, Allahyari Z, Oganov AR (2019). Computational discovery of hard and superhard materials. Journal of Applied Physics 126(4):040901.
Crossref

 

Ledbetter H, Migliori A (2006). A general elastic-anisotropy measure. Journal of applied physics 100(6):063516.
Crossref

 

Lee KW, Pickett WE (2004). Superconductivity in boron-doped diamond. Physical review letters, 93(23):237003.
Crossref

 

Lowther JE (2000). Superhard materials. Physica status solidi (b). 217(1):533-543.
Crossref

 

Mazhnik E, Oganov AR (2019). A model of hardness and fracture toughness of solids. Journal of Applied Physics 126(12):125109.
Crossref

 

Monkhorst HJ, Pack JD (1976). Special points for Brillouin-zone integrations. Physical review B, 13(12):5188.
Crossref

 

Mouhat F, Coudert FX (2014). Necessary and sufficient elastic stability conditions in various crystal systems. Physical review B 90(22):224104.
Crossref

 

Nassau K, Nassau J (1979). The history and present status of synthetic diamond. Journal of Crystal Growth 46(2):157-172.
Crossref

 

Niu H, Niu S, Oganov AR (2019). Journal of Applied Physics 125(6):065105.
Crossref

 

Nozaki H, Itoh S (1996). Structural stability of BC2N. Journal of Physics and Chemistry of Solids 57(1):41-49.
Crossref

 

Perdew JP, Burke K, Ernezerhof M (1996). Generalized Gradient Approximation Made Simple. Physical Review Letters. 77:3865.
Crossref

 

Ranganathan SI, Ostoja-Starzewski M (2008). Universal elastic anisotropy index. Physical Review Letters 101(5):055504.
Crossref

 

Reuss A, Angew Z (1929). Berchung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle. Journal of Applied Mathematics and Mechanics (Zeitschrift für Angewandte Mathematik und Mechanik) 9(1):49-58. 
Crossref

 

Singh BP (1986). Characterization of cubic boron nitride compacts. Materials research bulletin. 21(1):85-92.
Crossref

 

Solozhenko VL, Godec YL (2019). A hunt for ultrahard materials. Journal of Applied Physics 126:230401 
Crossref

 

Solozhenko VL, Gregoryanz E (2005). Synthesis of superhard materials. Materials Today 8(11):44-51.
Crossref

 

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(19):6925-6933.
Crossref

 

Sun H, Jhi SH, Roundy D, Cohen ML, Louie SG (2001). Structural forms of cubic BC 2 N. Physical Review B. 64(9):094108.
Crossref

 

Voigt W (1928). Lehrbuch der Kristallphysik, (Textbook of crystal physics). BG Teubner, Leipzig und Berlin.

 

Yanchitsky BZ, Timoshevskii AN (2001). Determination of the space group and unit cell for a periodic solid. Computer physics communications 139(2):235-242.
Crossref

 

Zhao Z, Xu B, Tian Y (2016). Recent advances in superhard materials. Annual Review of Materials Research 46:383-406.
Crossref