Studies on the electronic structure of Ag2NiO2, an intercalated delafossite containing subvalent silver

Solid State Sciences

Volumn 8, Issue 7, 2006, Pages 753-763

  Wedig, Ulrich ^a   Adler, Peter ^a   Nuss, Jürgen ^a   Modrow, Hartwig ^b   Jansen, Martin ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

Density functional calculations; Frustrated triangular nets; Hybrid functionals; Near edge X ray absorption spectroscopy; Photoelectron spectroscopy; Subvalent silver compound; X ray diffraction

Indexed keywords

COUPLINGS; FERRIMAGNETISM; INTERCALATION COMPOUNDS; NICKEL COMPOUNDS; PHOTOELECTRON SPECTROSCOPY; POLARIZATION; PROBABILITY DENSITY FUNCTION; SILVER COMPOUNDS; SINGLE CRYSTALS; X RAY DIFFRACTION;

DENSITY FUNCTIONAL CALCULATIONS; FRUSTRATED TRIANGULAR NETS; HYBRID FUNCTIONALS; NEAR EDGE X-RAY ABSORPTION SPECTROSCOPY; SUBVALENT SILVER COMPOUND;

ELECTRONIC STRUCTURE;

EID: 33745194110     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2006.04.004     Document Type: Article

References (47)

1. Schreyer M., and Jansen M. Angew. Chem. 114 (2002) 665
2. Schreyer M., and Jansen M. Angew. Chem. Int. Ed. 41 (2002) 643
3. Shin Y.J., Doumerc J.P., Dordor P., Delmas C., Pouchard M., and Hagenmuller P. J. Solid State Chem. 107 (1993) 303
4. Sörgel T., and Jansen M. Z. Anorg. Allg. Chem. 631 (2005) 2970
5. Chappel E., Núñez-Regueiro M.D., Chouteau G., Isnard O., and Darie C. Eur. Phys. J. B 17 (2000) 615
6. Sofin M., and Jansen M. Z. Naturforsch. 60b (2005) 701
7. Argay G., and Naray-Szabo I. Acta Chim. Acad. Sci. Hung. 49 (1966) 329
8. Yoshida H., Muraoka Y., Sörgel T., Jansen M., and Hiroi Z. Phys. Rev. B 73 (2006) 020408
9. T. Sörgel, Dissertation, University of Stuttgart (2006)
10. SAINT 6.45, Bruker AXS Inc., Madison, WI, 2003
11. SMART 5.630, Bruker AXS Inc., Madison, WI, 1997
12. X-Shape (Crystal Optimisation for Numerical Absorption Correction), Stoe & Cie GmbH, Darmstadt, Germany, 1999
13. G.M. Sheldrick, SHELXTL 6.12, Bruker AXS Inc., Madison, WI, 2000
14. Modrow H., Bucher S., Hormes J., Brinkmann R., and Bönnemann H. J. Phys. Chem. B 107 (2003) 3684
15. Ankudinov A.L., Ravel B., Rehr J.J., and Conradson S.D. Phys. Rev. B 58 (1998) 7565
16. Hallmeier K.H., Uhlig I., and Szargan R. J. Electron Spectr. Related Phenomena 122 (2002) 91
17. Modrow H., Bucher S., Rehr J.J., and Ankudinov A.L. Phys. Rev. B 67 (2003) 035123
18. Pantelouris A., Modrow H., Pantelouris M., Hormes J., and Reinen D. Chem. Phys. 300 (2004) 13
19. Den Auwer C., Guillaumont D., Guilbaud P., Conradson S.D., Rehr J.J., Ankudinov A., and Simoni E. New J. Chem. 28 (2004) 929
20. Kravtsova A.N., Stekhin I.E., Soldatov A.V., Liu X., and Fleet M.E. Phys. Rev. B 69 (2004) 134109
21. R.W. Tank, O. Jepsen, A. Burkhardt, O.K. Andersen, TB-LMTO-ASA version 4.7, Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany, 1998
22. Andersen O.K., Postnikov A.V., and Savrasov S.Yu. Mat. Res. Symp. Proc. 253 (1992) 37
23. von Barth U., and Hedin L. J. Phys. C 5 (1972) 1629
24. CRYSTAL98, V.R. Saunders, R. Dovesi, C. Roetti, M. Causa, N.M. Harrison, R. Orlando, C.M. Zicovich-Wilson, CRYSTAL98 User's Manual, University of Torino, Torino, 1998
25. Andrae D., Häußermann U., Dolg M., Stoll H., and Preuß H. Theor. Chim. Acta 77 (1990) 123
26. Dolg M., Wedig U., Stoll H., and Preuss H. J. Chem. Phys. 86 (1987) 866
27. Bergner A., Dolg M., Kuechle W., Stoll H., and Preuss H. Mol. Phys. 80 (1993) 1431
28. Becke A.D. Phys. Rev. A 38 (1988) 3098
29. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
30. Dyer L.D., Borie B.S., and Smith G.P. J. Am. Chem. Soc. 76 (1954) 1499
31. Bianconi A. XANES spectroscopy. In: Koningsberger R., and Prins R. (Eds). X-Ray Absorption: Principles, Applications, Techniques of EXAFS, SEXAFS and XANES (1988), Wiley, New York 573
32. Stöhr J. NEXAFS Spectroscopy (1992), Springer-Verlag, Berlin
33. Lee S.S., Kim J.H., Wi S.C., Kim G., Kang J.-S., Shin Y.J., Han S.W., Kim K.H., Song H.J., and Shin H.J. J. Appl. Phys. 97 (2005) 10A309
34. Behrens P., Aßmann S., Bilow U., Linke C., and Jansen M. Z. Anorg. Allg. Chem. 625 (1999) 111
35. Angermund K., Bühl M., Endruschat U., Mauschick F.T., Mörtel R., Mynott R., Tesche B., Waldöfner N., Bönnemann H., Köhl G., Modrow H., Hormes J., Dinjus E., Gassner F., Haubold H.-G., Vad T., and Kaupp M. J. Phys. Chem. B 107 (2003) 7507
36. Kang J.-S., Kwak J.H., Shin Y.J., Han S.W., Kim K.H., and Min B.I. Phys. Rev. B 61 (2000) 10682
37. Mizokawa T., Fujimori A., Arima T., Tokura Y., Mori N., and Akimitsu J. Phys. Rev. B 52 (1995) 13865
38. Barman S.R., Chainani A., and Sarma D.D. Phys. Rev. B 49 (1994) 8475
39. Yeh J.J., and Lindau I. At. Data Nucl. Data Tables 32 (1985) 1
40. Seshadri R., Felser C., Thieme K., and Tremel W. Chem. Mater. 10 (1998) 2189
41. Wichainchai A., Dordor P., Doumerc J.P., Marquestaut E., Pouchard M., Hagenmuller P., and Ammar A. J. Solid State Chem. 74 (1988) 126
42. Bongers P.F., and Enz U. Solid State Commun. 4 (1966) 153
43. Chappel E., Núñez-Regueiro M.D., Dupont F., Chouteau G., Darie C., and Sulpice A. Eur. Phys. J. B 17 (2000) 609
44. Darie C., Bordet P., de Brion S., Holzapfel M., Isnard O., Lecchi A., Lorenzo J.E., and Suard E. Eur. J. Phys. B 43 (2005) 159
45. Lewis M.J., Gaulin B.D., Filion L., Kallin C., Berlinsky A.J., Dabkowska H.A., Qiu Y., and Copley J.R.D. Phys. Rev. B 72 (2005) 014408
46. Mostovoy M.V., and Khomskii D.I. Phys. Rev. Lett. 89 (2002) 227203
47. Meskine H., and Satpathy S. Phys. Rev. B 72 (2005) 224423