Iron in oxides, silicates and alloys under extreme pressure-temperature conditions [Elektronische Ressource] / Konstantin Glazyrin. Betreuer: Leonid Dubrovinsky

Konstantin Glazyrin

Informations

• Publié par: universitat_bayreuth
• Publié le: 01 janvier 2011
• Nombre de lectures: 53
• Poids de l'ouvrage: 5 Mo

Extrait

Iron in oxides, silicates and alloys under
extreme pressure-temperature conditions
Von der Fakultät für Biologie, Chemie und Geowissenschaften
der Universität Bayreuth
zur Erlangung der eiWürnde es Doktors der Naturwissenschaften
- Dr. rer. nat. -
Genehmigte Dissertation
vorgelegt von
Konstantin Glazyrin
aus Tschita (Russland)
Bayreuth 201 1Vollständiger Abdruck der von der Fakultät für Chemie/Biologie/Geowissenschaften der Universität
Bayreuth genehmigten Dissertation zur Erlangung des Grades eines Doktors der Nat urwissenschaften
(Dr. rer. nat.).
Prüfungsausschuß:
Prof. Dr. Hans Keppler, Universität Bayreuth (Vorsitzender)
Prof. Dr. Leonid Dubrovinsky, Universität Bayreuth , (1. Gutachter)
Prof. Dr. Tomoo Katsura, Universität Bayreuth (2. Gutachter)
Prof. Dr. Josef Breu, Universität Bayreuth
Tag der Einreichung: 18 August 2011
Tag der wissenschaftlichen Kolloquiums: 28 November 2011
iiTable of Contents
Summary.....................................................................................................................1 ........................
Zusammenfassung..........................................................................................................4 ....................
1. Introduction...........................................................................................................9 ........................
1.1. Origin and structure of Earth and terr.e.s.t.r.i.al.. .p.l.a.ne..t.s.......................9....................................
1.2. Mineral assemblage of the Earth's. .m.ant..l..e......................................12..........................................
1.3. The core material of terrestria.l. ..pl..ane..t.s......................................13.............................................
2. Motivation .................................................................................................................15 ...................
Iron is the principle element of the Earth's lower mant..l.e. ..and ....t.h.e. .c.o.r.e............15..........................
2.1. Pure iron and iron-nickel.. .a.l.l..oy...............................................16..................................................
2.2. Crystal chemistry and spin state of iron in Earth's lower mantle minerals – magnesium silicate
perovskite and magnesium ferropericl..a.se...............................................18...............................................
2.3. Portable laser heating system as a new tool to emulate conditions of .t.he.. .l..ow..e22.r. .m.ant..l..e.
2.4. Electronic properties of minerals under high pressure – magnetite a.s ..a .m.o.de..l.. .22s.y.st..e.m....
2.5. Low temperature phase diagram of wüst.i.t.e.........................................24.........................................
3. Experimental techniques ...............................................................................26 .............................
Generation of extreme high pressure-high temperature ..c.ond...i.t.ion..s.....................26.............................
3.1. Diamond anvil cells techn..i.que...................................................26..................................................
3.1.1 Heating of samples loaded into diamond. .anvi...l. .c.e..l.l.........................28.................................
3.1.2 Paris-Edinburgh ..pr..e.s.s....................................................29.......................................................
3.2. In-situ analy..si.s...............................................................30..............................................................
3.2.1 Single crystal and powder x-ra.y. .di..f.f.r..ac.t.i.on.............................31.......................................
3.2.2 Neutron diffr.a.c.t.i.on.......................................................32.........................................................
3.2.3 Mössbauer spectroscop.y.......................................................33.....................................................
4. Scope of thesis ...........................................................................................................35 ...................
4.1. Single crystal structure and spin state of ferric iron of magnesiu.m. .si.l..i.c.at.e. .35.pe.r.ovs..ki..t.e.
4.2. Compression induced metallization of magnetite below. ..25 ..G.P..a...................38..........................
4.3. Intrinsic defect structure of wüstite and its effect on high-pressure low temperature phase diagram
...................................................................................42................................................................................
4.4. Evidence of topological electronic transition in hcp phase of Fe a.nd ....F.e.0...9N..i.0..146.............
5. Results .........................................................................................................................................50.
5.1. Ferric iron in aluminum bearing magnesium silicate perovskite probed by si-ngrayl e crystal x
diffracti.on.........................................................................50.......................................................................
5.1.1 Abstr.ac..t..................................................................50..................................................................
5.1.2 Introduc.t.i.on...............................................................50..............................................................
iii5.1.3 Experimental Met.hods........................................................52.......................................................
5.1.4 Results and Disc.us..si.on.....................................................53......................................................
5.1.5 Appendix ..1................................................................57................................................................
5.2. Effect of high pressure on crystal structure and electronic properties of GP ma.agne.59 tite below 25
5.2.1 Abstra.c.t...................................................................59..................................................................
5.2.2 Introduc.t.ion................................................................59..............................................................
5.2.3 Experimental met.hods.........................................................60......................................................
5.2.4 Results and disc.us..s.i.on....................................................61.......................................................
5.2.5 Acknowledgme.nt..s..........................................................67..........................................................
5.2.6 Appendix ..1................................................................67................................................................
5.3. Effect of composition and pressure on phase transitions in FexO at low ..t.e.m.pe.r.a.t.ur..68e.........
5.3.1 Abstr.a.c.t..................................................................68..................................................................
5.3.2 Main t.e.xt..................................................................68.................................................................
5.3.3 Supplementary mat..e.r.i.al...................................................72......................................................
5.3.3.1. Sample prepara.......................................................................................tion 72 ..........
5.3.3.2. Neutron diffrac............................................................tion data 73 .............................
5.3.3.3. Magnetic measur.................................................................................ments 74 ..........
5.3.3.4. Defects in FexO............................................................................. structure 75 ..........
5.4. Correlation effects in iron under extreme ..c.ond...it.i.ons............................76..................................
5.4.1 Abstr.a.c.t..................................................................76..................................................................
5.4.2 Main t.e.xt..................................................................76.................................................................
5.4.3 Supporting Online .M.a.t.e.r.i.a.l.............................................81...................................................
5.4.3.1. Experimental de..............................................................................tails 81 .................
5.4.3.2. Theoretical calculations 83 .........
5.4.3.2.1. Local-density approximation+dynamical mean-field theory (LDA+DMFT) ..a.pp.8ro.3a.ch
5.4.3.2.2. Calculation of electronic free energy wit.h.i.n. .LD..A.+.D.M.F.T.............8.4........................
5.4.3.2.3. Relevance of magnetic order for propert.i.e.s .o.f ..h.c.p. .F.e. ................8.6..........................
5.4.3.2.4. Electron Topological Transition and Fermi surface topol.o.g.y. ..of ...h.c.p .F.e.. 8.7.............
5.4.3.2.5. Fermi surface topology of hcp Fe: LDA ..vs... .D.M.F.T.......................8.8.............................
5.4.3.2.6. Isomer shifts calculat.i.o.n.s .i.n. .F.e......................................9.0.....................