Metal azides under pressure: An emerging class of high energy density materials

Journal of Chemical Sciences

Volumn 124, Issue 6, 2012, Pages 1391-1398

  Vaitheeswaran, G ^a   Babu, K Ramesh ^a  

^a UNIVERSITY OF HYDERABAD   (India)

Author keywords

band gap; compressibility; density functional theory; Energetic materials

Indexed keywords

ALKALI METALS; COMBUSTION; COMPRESSIBILITY; ENERGY GAP; EXPLOSIVES; HIGH PRESSURE ENGINEERING; INORGANIC COMPOUNDS; LITHIUM COMPOUNDS; POLYMERS; POTASSIUM COMPOUNDS; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

AMBIENT CONDITIONS; EXPLOSIVE PROPERTIES; HIGH ENERGY DENSITY MATERIALS; HIGH PRESSURE BEHAVIOUR; POLYMERIC NITROGENS; PRESSURE INCREASE; THEORETICAL STUDY; VAN DER WAALS INTERACTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84874462830     PISSN: 09743626     EISSN: 09737103     Source Type: Journal    
DOI: 10.1007/s12039-012-0338-x     Document Type: Conference Paper

References (21)

1. Evans B L, Yoffe A D and Gray P 1959 Chem. Rev. 59 515
2. Fair H D and Walke R F 1977 Energetic materilas Vol. 1 New York: Plenum Press
3. Seel M and Kunz A B, 1991 Int. J. Quantum. Chem. 39 149
4. Younk E H and Kunz A B 1997 Int. J. Quantum Chem. 63 615
5. Pringle G E and Noakers D E 1968 Acta Crystallogr. B24 262
6. Muller U Z 1972 Z. Anorg. Allg. Chem. 392 159
7. Eremets M I, Hemley R J, Mao H K and Gregoryanz E 2001 Nature 411 170
8. Eremets M I, Gavriliuk A G, Trojan I A, Dzivenko D A and Boehler R 2004 Nat. Mat. 3 558
9. Eremets M I, Popov M Yu, Trojan I A, Denisov V N, Boehler R and Hemley R J 2004 J. Chem. Phys. 120 10618
10. Medvedev S A, Trojan I A, Eremets M I, Palasyuk T, Klapotke T M and Evers J 2009 J Phys. Condens. Mat. 21 195404
11. Hou D, Zhang F, Cheng J, Hannon T, Zhu H, Wu J and Ma Y 2011 Phys. Rev. B. 84 064127
12. Ji C, Zhang F, Hou D, Zhu H, Wu J, Chyu M-C, Levitas V I, Maa Y 2011 J. Phys. Chem. Solids 72 736
13. Ramesh B K, Bheema L Ch, Tewari Surya P, Vaitheeswaran G 2011 J. Phys. Chem. A. 115 4521
14. Segall M, Lindan P, Probert M, Pickard C, Hasnip P, Clark S and Payne M J 2002 J. Phys. Condens. Mat. 14 271
15. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
16. Grimme S 2006 J. Comp. Chem. 27 1787
17. Vanderbilt D 1990 Phys. Rev. B. 41 7892
18. Monkhorst H J and Pack J 1976 Phys. Rev. B. 13 5188
19. Perger W F 2010 Int. J. Quantum Chem. 110 1916
20. Zhu W, Xiao J and Xiao H 2006 Chem. Phys. Lett. 422 117
21. Jones R O and Gunnarsson O 1989 Rev. Mod. Phys. 61 689-746