Electronic and magnetic structure of pyroxenes I. Hedenbergite

Physics and Chemistry of Minerals

Volumn 37, Issue 1, 2010, Pages 11-23

  Grodzicki, Michael ^a   Redhammer, G ^a   Reissner, M ^b   Steiner, W ^b   Amthauer, G ^a  

^a UNIVERSITY OF SALZBURG   (Austria)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Clinopyroxenes; Electronic structure calculations; M ssbauer spectroscopy; Superexchange

Indexed keywords

CHAIN COUPLING; CHAIN SILICATE; CLINOPYROXENES; D-D EXCITATIONS; DIFFERENT SIZES; ELECTRONIC STRUCTURE CALCULATIONS; EXPERIMENTAL METHODS; EXPERIMENTAL VALUES; EXTERNAL MAGNETIC FIELD; GEOMETRICAL STRUCTURE; HEDENBERGITE; HYPERFINE PARAMETERS; IN-FIELD; LOCAL SPIN DENSITY APPROXIMATION; LOW TEMPERATURES; MAGNETIC COUPLING CONSTANTS; MAGNETIC MEASUREMENTS; METAMAGNETIC TRANSITIONS; QUANTITATIVE AGREEMENT; SPECTROSCOPIC DATA; SSBAUER SPECTROSCOPY; SUPEREXCHANGES;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MAGNETIC COUPLINGS; MAGNETIC DEVICES; MAGNETIC FIELDS; MAGNETIC PROPERTIES; MAGNETIC STRUCTURE; METAL SPINNING; SILICATE MINERALS;

MOLYBDENUM;

ESTIMATION METHOD; EXPERIMENTAL STUDY; HEDENBERGITE; INOSILICATE; MAGNETIC FIELD; MAGNETIC PROPERTY; MOSSBAUER SPECTROSCOPY; PYROXENE;

EID: 77949771967     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-009-0306-2     Document Type: Article

References (38)

1. Amthauer G, Rossman GR (1984) Mixed valence of iron in minerals with cation clusters. Phys Chem Miner 11: 37-51.
2. Anderson PW (1963) Theory of magnetic exchange interactions: exchange in insulators and semiconductors. Sol State Phys 14: 99-214.
3. Ausserlechner U, Kasperkovits P, Steiner W (1994) Pick-up systems for vibrating sample magnetometers-a theoretical discussion based on magnetic multipole expansions. Meas Sci Technol 5: 213-225.
4. Ausserlechner U, Steiner W, Kasperkovits P (1996) Calibration of vibrating sample magnetometers independent of reference samples. Meas Sci Technol 7: 1574-1578.
5. Bancroft GM, Williams PGL, Burns RG (1971) Mössbauer spectra of minerals along the diopside-hedenbergite tie line. Am Mineral 56: 1617-1625.
6. Baum E, Treutmann W, Lottermoser W, Amthauer G (1997) Magnetic properties of the clinopyroxenes aegirine and hedenbergite: a magnetic susceptibility study on single crystals. Phys Chem Miner 24: 294-300.
7. Burns RG (1993) Mineralogical applications of crystal field theory, 2nd edn. Cambridge, UK.
8. Cameron M, Sueno S, Prewitt CT, Papike JJ (1973) High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite. Am Mineral 58: 594-618.
9. 6. Sol State Commun 53: 143-145.
10. 57Fe Mössbauer spectral analysis of the sodic clinopyroxenes. Am Mineral 67: 311-327.
11. 57Fe. Phys Rev Lett 75: 3545-3548.
12. 57Fe Mössbauer-effect studies of Ca-rich, Fe-bearing clinopyroxenes. Part I. Paramagnetic spectra of magnesian hedenbergite. Am Mineral 88: 1129-1137.
13. 57Fe Mössbauer-effect studies of Ca-rich, Fe-bearing clinopyroxenes. Part II. Magnetic spectra of magnesian hedenbergite. Am Mineral 88: 1138-1144.
14. Grodzicki M (1980) A self-consistent-charge Xα method I. Theory. J Phys B13: 2683-2691.
15. Grodzicki M (1985) Theorie und Anwendungen der Self-Consistent-Charge-Xα Methode; Thesis of habilitation, Hamburg.
16. 129I as derived from SCC-Xα calculations and Mössbauer measurements. J Phys B20: 5595-5625.
17. Grodzicki M, Amthauer G (2000) Electronic and magnetic structure of vivianite: cluster molecular orbital calculations. Phys Chem Miner 27: 694-702.
18. Grodzicki M, Heuss-Assbichler S, Amthauer G (2001) Mössbauer investigations and molecular orbital calculations on epidote. Phys Chem Miner 28: 675-681.
19. Grodzicki M, Redhammer G, Amthauer G, Schünemann V, Trautwein A, Velickov B, Schmid-Beurmann P (2003) Electronic structure of Fe-bearing lazulites. Am Mineral 88: 481-488.
20. Grodzicki M, Topa D, Bieniok A, Redhammer G, Lottermoser GJ, Paar W, Amthauer G (2004) Electronic and magnetic structure of ludlamite: spectroscopic and theoretical investigations. 32nd International Geological Congress, Abstracts, part I: 549, Florence.
21. Illas F, de Moreira IPR, de Graaf C, Castell O, Casanovas J (1997) Absence of collective effects in Heisenberg systems with localized magnetic moments. Phys Rev B56: 5069-5072.
22. Johnson CE (1967) Hyperfine interactions in ferrous fluosilicates. Proc Phys Soc 92: 748-757.
23. 2- ligand. Inorg Chem 38: 2320-2327.
24. Lauer S, Marathe VR, Trautwein AX (1979) Sternheimer shielding using various approximations. Phys Rev A19: 1852-1861.
25. Lebernegg S, Amthauer G, Grodzicki M (2008) Single-centre MO theory of transition metal complexes. J Phys B 41 035102: 1-7.
26. Mørup S, Both E (1975) Nucl. Instrum Methods 124: 435.
27. Noodleman L (1981) Valence bond description of antiferromagnetic coupling in transition metal dimers. J Chem Phys 74: 5737-5743.
28. 2+ ion including many-body effects. Phys Rev B16: 4794-4804.
29. 6. PhD thesis, University of Salzburg.
30. 6 solid solution. Am Mineral 91: 1271-1292.
31. 6, M=Fe, Ni, Co, Mn. J Sol State Chem 181: 3163-3176.
32. Rodriguez-Carvajal J (2001) Recent developments of the program FULLPROF. Commission on Powder Diffraction (IUCr) Newsletter 25: 12-19.
33. Slater JC (1974) Quantum theory of molecules and solids, vol 4. McGraw-Hill, New York.
34. 6. Hyperfine Inter 28: 829-832.
35. Tennant WC, McCammon CA, Miletich R (2000) Electric-field gradient and mean-squared-displacement tensors in hedenbergite from single-crystal Mössbauer milliprobe measurements. Phys Chem Miner 27: 156-163.
36. 2+ in fluosilicates. J Phys Chem Solids 37: 265-271.
37. 3. Sol State Commun 57: 499-504.
38. 57Fe Mössbauer measurements and electronic structure calculations on natural lawsonite. Phys Chem Miner 34: 1-9.