Electronic and structural properties of NaZnX (X = P, As, Sb): An ab initio study

Journal of Physics Condensed Matter

Volumn 20, Issue 8, 2008, Pages

  Jaiganesh, G ^a   Merita Anto Britto, T ^a   Eithiraj, R D ^a   Kalpana, G ^a  

^a ANNA UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC CONDUCTIVITY; ENERGY GAP; RADIATION DAMAGE; SEMICONDUCTING INDIUM; SEMICONDUCTOR MATERIALS; TIN; TITANIUM COMPOUNDS; ZINC;

AB INITIO STUDIES; AMBIENT CONDITIONS; BAND GAPS; BAND-GAP SEMICONDUCTORS; BULK MODULUS; COHESIVE ENERGIES; DIRECT BAND GAPS; ELECTRONIC AND STRUCTURAL PROPERTIES; ENERGY VOLUMES; EXPERIMENTAL OBSERVATIONS; FIRST-PRINCIPLES; GROUND-STATE PROPERTIES; HIGH PRESSURES; LATTICE PARAMETERS; LINEAR MUFFIN-TIN ORBITAL METHODS; LOCAL DENSITY-APPROXIMATION; METALLIC BEHAVIOURS; PRESSURE DEPENDENCES; STRUCTURAL PHASE STABILITIES; STRUCTURAL PHASE TRANSITIONS; THREE PHASIS; TIGHT BINDINGS; TRANSITION PRESSURES; TYPE STRUCTURES; ZINC BLENDES;

PHASE STABILITY;

EID: 62249162207     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/8/085220     Document Type: Article

References (27)

1. Wood D M, Zunger A and de Groot R 1984 Phys. Rev. B 31 2570
2. Wei S-H and Zunger A 1986 Phys. Rev. Lett. 56 528
3. Carlsson A E, Zunger A and Wood D M 1985 Phys. Rev. B 32 1386
4. Bacewicz R and Ciszek T F 1988 Appl. Phys. Lett. 52 1150
5. Madsen G K H 2006 J. Am. Chem. Soc. 128 12140-6
6. Nowotny H and Bachmayer K 1950 Monatsh. Chem. 81 488
7. Nowotny H and Glatzl B 1951 Monatsh. Chem. 82 720
8. Juza R and Hund F 1948 Z. Anorg. Chem. 257 1
9. Juza R, Dethlefesen W, Seidel H and Benda K 1968 Anorg. Allg. Chem. 356 253
10. Villars P and Calverts L D Pearson's Handbook of Crystallographic Data for Intermetallic Phases vol 1 and 4 2nd edn (Materials Park, OH: ASM international, The materials international society) p1188, 4508 & 4520
11. Galasso F S 1970 Structure and Properties of Inorganic Solids 1st edn (Oxford: Pergamon) p95
12. Aramendia M A, Borau V, Jimenex C, Marinas J M and Romero F J 1995 J. Catal. 151 44-49
13. Music A, Batista J and Levec J 1997 Appl. Catal. A 165 115-31
14. Eisenmann B and Somer M 1985 Z. Naturf. B 40 1419-23
15. Kabbour H, Cario L and Boucher F 2005 J. Mater. Chem. 15 3525-31
16. Cario L, Lafond A, Morvan T, Kabbour H, Andre G and Palvadeau P 2005 Solid State Sci. 7 936-44
17. Andersen O K and Jepsen O 1984 Phys. Rev. Lett. 53 2571
18. Andersen O K, Jepsen O and Sob M 1987 Electronic Structure and its Applications ed M Yussouff (Berlin: Springer) p2
19. Skriver H L 1984 The LMTO Method (Heidelberg: Springer)
20. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
21. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
22. von Barth U and Hedin L 1972 J. Phys. C: Solid State Phys. 5 1629
23. Jepsen O and Andersen O K 1971 Solid State Commun. 9 1763
24. Birch F 1978 J. Geophys. Res. 83 1257
25. Kalarasse F and Bennecer B 2006 J. Phys. Chem. Solids 67 846-50
26. Kalarasse F and Bennecer B 2006 J. Phys. Chem. Solids 67 1850-7
27. Bouhemaelou A, Khenata R and Zerarga F 2007 Solid State Commun. 141 288-91