Electronic and optical properties of D-band perovskites:
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Cambridge [u.a.]
Cambridge Univ. Press
2006
|
| Edition: | 1. publ. |
| Subjects: | |
| Online Access: | Publisher description Table of contents only Contributor biographical information Inhaltsverzeichnis |
| Item Description: | Includes bibliographical references and index |
| Physical Description: | xi, 315 p. graph. Darst. |
| ISBN: | 9780521850537 0521850533 |
Staff View
MARC
| LEADER | 00000nam a2200000zc 4500 | ||
|---|---|---|---|
| 001 | BV035128930 | ||
| 003 | DE-604 | ||
| 005 | 20090129 | ||
| 007 | t | ||
| 008 | 081030s2006 xxkd||| |||| 00||| eng d | ||
| 010 | |a 2007295339 | ||
| 015 | |a GBA604193 |2 dnb | ||
| 020 | |a 9780521850537 |9 978-0-521-85053-7 | ||
| 020 | |a 0521850533 |9 0-521-85053-3 | ||
| 035 | |a (OCoLC)62532882 | ||
| 035 | |a (DE-599)BSZ258814985 | ||
| 040 | |a DE-604 |b ger |e aacr | ||
| 041 | 0 | |a eng | |
| 044 | |a xxk |c GB | ||
| 049 | |a DE-703 | ||
| 050 | 0 | |a QE391.P47 | |
| 082 | 0 | |a 549.5 | |
| 082 | 0 | |a 537.6233 | |
| 084 | |a VE 9350 |0 (DE-625)147153:253 |2 rvk | ||
| 100 | 1 | |a Wolfram, Thomas |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Electronic and optical properties of D-band perovskites |c Thomas Wolfram, Şinasi Ellialtıoğlu |
| 250 | |a 1. publ. | ||
| 264 | 1 | |a Cambridge [u.a.] |b Cambridge Univ. Press |c 2006 | |
| 300 | |a xi, 315 p. |b graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 500 | |a Includes bibliographical references and index | ||
| 650 | 4 | |a Perovskite | |
| 650 | 0 | 7 | |a Perowskit |0 (DE-588)4173836-6 |2 gnd |9 rswk-swf |
| 689 | 0 | 0 | |a Perowskit |0 (DE-588)4173836-6 |D s |
| 689 | 0 | |5 DE-604 | |
| 700 | 1 | |a Ellialtıoğlu, Şinasi |e Verfasser |4 aut | |
| 856 | 4 | |u http://www.loc.gov/catdir/enhancements/fy0707/2007295339-d.html |3 Publisher description | |
| 856 | 4 | |u http://www.loc.gov/catdir/enhancements/fy0707/2007295339-t.html |3 Table of contents only | |
| 856 | 4 | |u http://www.loc.gov/catdir/enhancements/fy0733/2007295339-b.html |3 Contributor biographical information | |
| 856 | 4 | 2 | |m Digitalisierung UB Bayreuth |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016796464&sequence=000004&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-016796464 | ||
Record in the Search Index
| _version_ | 1804138110390370304 |
|---|---|
| adam_text | Contents
Preface page
ix
1
Introductory discussion of the perovskites
1
1.1
Introduction
1
1.2
The perovskite structure
3
1.3
Ionic model
4
1.4
Madelung and electrostatic potentials
6
1.5
Covalent mixing
9
1.6
Energy bands
12
1.7
Localized
d
electrons
16
1.8
Magnetism in the perovskites
17
1.9
Superconductivity
18
1.10
Some applications of perovskite materials
20
2
Review of the quantum mechanics
of N- electron systems
27
2.1
The Hamiltonian
27
2.2
The Slater determinant state
28
2.3
Koopman s theorem
29
2.4
Hartree-Fock equations
30
2.5
Hartree-Fock potential
32
2.6
Approximate exchange potential
34
2.7
The LCAO method
35
2.8
Orthogonalized atomic
orbitais
37
Contents
Empirical LCAO model
41
3.1 LCAO
matrix elements
41
3.2
Slater-Koster model
42
3.3
Symmetry properties of the
Löwdin
orbitais
48
LCAO energy band model for cubic perovskites
53
4.1
The unit cell and Brillouin zone
53
4.2
LCAO matrix equation for an infinite lattice
56
4.3
LCAO matrix elements for the perovskite
57
4.4
LCAO eigenvalue equation for the cubic perovskites
61
4.5
Qualitative features of the energy bands
65
4.6
Summary of the chapter results
73
Analysis of bands at symmetry points
77
5.1
Energy bands at
Γ
77
5.2
Energy bands at X
81
5.3
Energy bands at
M
84
5.4
Energy bands at
R
86
5.5
Cluster electronic states
90
Density of states
107
6.1
Definitions
107
6.2
DOS for the pi bands
109
6.3
DOS for the
sigma
bands
114
6.4
The Fermi surface and effective mass
123
Optical properties of the d-band perovskites
138
7.1
Review of semiclassical theory
139
7.2
Qualitative theory of
£2(0;) 142
7.3
Interband
transitions from non-bonding bands
153
7.4
Frequency dependence of
ε2{ω)
for
insulating and semiconducting perovskites
157
7.5
Frequency dependence of
ε2(ω)
from
σ°
—»
7Г*
transitions
167
Contents
vii
7.6
Frequency dependence of
Є2(ш)
from
π
—>
π*
transitions
170
7.7
σ
—>
π*
interband
transitions
173
7.8
Summary
180
8
Photoemission from perovskites
182
8.1
Qualitative theory of photoemission
183
8.2
Partial density of states functions
187
8.3
The XPS spectrum of SrTiO3
189
8.4
NaxW03
192
8.5
Many-body effects in XPS spectra
193
9
Surface states on d-band perovskites
199
9.1
Perturbations at a surface
199
9.2
Surface energy band concepts
202
9.3
Self-consistent solutions for the band-gap
surface states: SrTiO3
213
9.4
Surface-oxygen defect states
221
10
Distorted perovskites
231
10.1
Displacive distortions: cubic-to-tetragonal
phase transition
231
10.2
Octahedral tilting
240
11
High-temperature superconductors
249
11.1
Background
249
11.2
Band theory and quasiparticles
253
11.3
Effective Hamiltonians for low-energy excitations
256
11.4
Angle-resolved photoemission
257
11.5
Energy bands of the Cu O2 layers
260
11.6
Chains in YBa2Cu306.95
277
11.7
Summary
279
Contents
Appendices
A Physical
constants
and the complete elliptic integral
of the first kind
285
A.I Selected physical constants
285
A.2 The complete elliptic integral of the first kind
286
В
The delta function
288
С
Lattice Green s function
291
C.I Function GE(0)
293
C.2 Function Ge{ )
294
C.3 Lattice Green s function for the pi bands
296
D
Surface and bulk Madelung potentials
for the ABO3 structure
302
Index
305
|
| adam_txt |
Contents
Preface page
ix
1
Introductory discussion of the perovskites
1
1.1
Introduction
1
1.2
The perovskite structure
3
1.3
Ionic model
4
1.4
Madelung and electrostatic potentials
6
1.5
Covalent mixing
9
1.6
Energy bands
12
1.7
Localized
d
electrons
16
1.8
Magnetism in the perovskites
17
1.9
Superconductivity
18
1.10
Some applications of perovskite materials
20
2
Review of the quantum mechanics
of N- electron systems
27
2.1
The Hamiltonian
27
2.2
The Slater determinant state
28
2.3
Koopman's theorem
29
2.4
Hartree-Fock equations
30
2.5
Hartree-Fock potential
32
2.6
Approximate exchange potential
34
2.7
The LCAO method
35
2.8
Orthogonalized atomic
orbitais
37
Contents
Empirical LCAO model
41
3.1 LCAO
matrix elements
41
3.2
Slater-Koster model
42
3.3
Symmetry properties of the
Löwdin
orbitais
48
LCAO energy band model for cubic perovskites
53
4.1
The unit cell and Brillouin zone
53
4.2
LCAO matrix equation for an infinite lattice
56
4.3
LCAO matrix elements for the perovskite
57
4.4
LCAO eigenvalue equation for the cubic perovskites
61
4.5
Qualitative features of the energy bands
65
4.6
Summary of the chapter results
73
Analysis of bands at symmetry points
77
5.1
Energy bands at
Γ
77
5.2
Energy bands at X
81
5.3
Energy bands at
M
84
5.4
Energy bands at
R
86
5.5
Cluster electronic states
90
Density of states
107
6.1
Definitions
107
6.2
DOS for the pi bands
109
6.3
DOS for the
sigma
bands
114
6.4
The Fermi surface and effective mass
123
Optical properties of the d-band perovskites
138
7.1
Review of semiclassical theory
139
7.2
Qualitative theory of
£2(0;) 142
7.3
Interband
transitions from non-bonding bands
153
7.4
Frequency dependence of
ε2{ω)
for
insulating and semiconducting perovskites
157
7.5
Frequency dependence of
ε2(ω)
from
σ°
—»
7Г*
transitions
167
Contents
vii
7.6
Frequency dependence of
Є2(ш)
from
π
—>
π*
transitions
170
7.7
σ
—>
π*
interband
transitions
173
7.8
Summary
180
8
Photoemission from perovskites
182
8.1
Qualitative theory of photoemission
183
8.2
Partial density of states functions
187
8.3
The XPS spectrum of SrTiO3
189
8.4
NaxW03
192
8.5
Many-body effects in XPS spectra
193
9
Surface states on d-band perovskites
199
9.1
Perturbations at a surface
199
9.2
Surface energy band concepts
202
9.3
Self-consistent solutions for the band-gap
surface states: SrTiO3
213
9.4
Surface-oxygen defect states
221
10
Distorted perovskites
231
10.1
Displacive distortions: cubic-to-tetragonal
phase transition
231
10.2
Octahedral tilting
240
11
High-temperature superconductors
249
11.1
Background
249
11.2
Band theory and quasiparticles
253
11.3
Effective Hamiltonians for low-energy excitations
256
11.4
Angle-resolved photoemission
257
11.5
Energy bands of the Cu O2 layers
260
11.6
Chains in YBa2Cu306.95
277
11.7
Summary
279
Contents
Appendices
A Physical
constants
and the complete elliptic integral
of the first kind
285
A.I Selected physical constants
285
A.2 The complete elliptic integral of the first kind
286
В
The delta function
288
С
Lattice Green's function
291
C.I Function GE(0)
293
C.2 Function Ge{\)
294
C.3 Lattice Green's function for the pi bands
296
D
Surface and bulk Madelung potentials
for the ABO3 structure
302
Index
305 |
| any_adam_object | 1 |
| any_adam_object_boolean | 1 |
| author | Wolfram, Thomas Ellialtıoğlu, Şinasi |
| author_facet | Wolfram, Thomas Ellialtıoğlu, Şinasi |
| author_role | aut aut |
| author_sort | Wolfram, Thomas |
| author_variant | t w tw ş e şe |
| building | Verbundindex |
| bvnumber | BV035128930 |
| callnumber-first | Q - Science |
| callnumber-label | QE391 |
| callnumber-raw | QE391.P47 |
| callnumber-search | QE391.P47 |
| callnumber-sort | QE 3391 P47 |
| callnumber-subject | QE - Geology |
| classification_rvk | VE 9350 |
| ctrlnum | (OCoLC)62532882 (DE-599)BSZ258814985 |
| dewey-full | 549.5 537.6233 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 549 - Mineralogy 537 - Electricity and electronics |
| dewey-raw | 549.5 537.6233 |
| dewey-search | 549.5 537.6233 |
| dewey-sort | 3549.5 |
| dewey-tens | 540 - Chemistry and allied sciences 530 - Physics |
| discipline | Chemie / Pharmazie Physik |
| discipline_str_mv | Chemie / Pharmazie Physik |
| edition | 1. publ. |
| format | Book |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01894nam a2200481zc 4500</leader><controlfield tag="001">BV035128930</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">20090129 </controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">081030s2006 xxkd||| |||| 00||| eng d</controlfield><datafield tag="010" ind1=" " ind2=" "><subfield code="a">2007295339</subfield></datafield><datafield tag="015" ind1=" " ind2=" "><subfield code="a">GBA604193</subfield><subfield code="2">dnb</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9780521850537</subfield><subfield code="9">978-0-521-85053-7</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">0521850533</subfield><subfield code="9">0-521-85053-3</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)62532882</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BSZ258814985</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-604</subfield><subfield code="b">ger</subfield><subfield code="e">aacr</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="044" ind1=" " ind2=" "><subfield code="a">xxk</subfield><subfield code="c">GB</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-703</subfield></datafield><datafield tag="050" ind1=" " ind2="0"><subfield code="a">QE391.P47</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">549.5</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">537.6233</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">VE 9350</subfield><subfield code="0">(DE-625)147153:253</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Wolfram, Thomas</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Electronic and optical properties of D-band perovskites</subfield><subfield code="c">Thomas Wolfram, Şinasi Ellialtıoğlu</subfield></datafield><datafield tag="250" ind1=" " ind2=" "><subfield code="a">1. publ.</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Cambridge [u.a.]</subfield><subfield code="b">Cambridge Univ. Press</subfield><subfield code="c">2006</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">xi, 315 p.</subfield><subfield code="b">graph. Darst.</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">Includes bibliographical references and index</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Perovskite</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Perowskit</subfield><subfield code="0">(DE-588)4173836-6</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Perowskit</subfield><subfield code="0">(DE-588)4173836-6</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Ellialtıoğlu, Şinasi</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="856" ind1="4" ind2=" "><subfield code="u">http://www.loc.gov/catdir/enhancements/fy0707/2007295339-d.html</subfield><subfield code="3">Publisher description</subfield></datafield><datafield tag="856" ind1="4" ind2=" "><subfield code="u">http://www.loc.gov/catdir/enhancements/fy0707/2007295339-t.html</subfield><subfield code="3">Table of contents only</subfield></datafield><datafield tag="856" ind1="4" ind2=" "><subfield code="u">http://www.loc.gov/catdir/enhancements/fy0733/2007295339-b.html</subfield><subfield code="3">Contributor biographical information</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">Digitalisierung UB Bayreuth</subfield><subfield code="q">application/pdf</subfield><subfield code="u">http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016796464&sequence=000004&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA</subfield><subfield code="3">Inhaltsverzeichnis</subfield></datafield><datafield tag="999" ind1=" " ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-016796464</subfield></datafield></record></collection> |
| id | DE-604.BV035128930 |
| illustrated | Illustrated |
| index_date | 2024-07-02T22:23:57Z |
| indexdate | 2024-07-09T21:22:59Z |
| institution | BVB |
| isbn | 9780521850537 0521850533 |
| language | English |
| lccn | 2007295339 |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-016796464 |
| oclc_num | 62532882 |
| open_access_boolean | |
| owner | DE-703 |
| owner_facet | DE-703 |
| physical | xi, 315 p. graph. Darst. |
| publishDate | 2006 |
| publishDateSearch | 2006 |
| publishDateSort | 2006 |
| publisher | Cambridge Univ. Press |
| record_format | marc |
| spelling | Wolfram, Thomas Verfasser aut Electronic and optical properties of D-band perovskites Thomas Wolfram, Şinasi Ellialtıoğlu 1. publ. Cambridge [u.a.] Cambridge Univ. Press 2006 xi, 315 p. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Includes bibliographical references and index Perovskite Perowskit (DE-588)4173836-6 gnd rswk-swf Perowskit (DE-588)4173836-6 s DE-604 Ellialtıoğlu, Şinasi Verfasser aut http://www.loc.gov/catdir/enhancements/fy0707/2007295339-d.html Publisher description http://www.loc.gov/catdir/enhancements/fy0707/2007295339-t.html Table of contents only http://www.loc.gov/catdir/enhancements/fy0733/2007295339-b.html Contributor biographical information Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016796464&sequence=000004&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Wolfram, Thomas Ellialtıoğlu, Şinasi Electronic and optical properties of D-band perovskites Perovskite Perowskit (DE-588)4173836-6 gnd |
| subject_GND | (DE-588)4173836-6 |
| title | Electronic and optical properties of D-band perovskites |
| title_auth | Electronic and optical properties of D-band perovskites |
| title_exact_search | Electronic and optical properties of D-band perovskites |
| title_exact_search_txtP | Electronic and optical properties of D-band perovskites |
| title_full | Electronic and optical properties of D-band perovskites Thomas Wolfram, Şinasi Ellialtıoğlu |
| title_fullStr | Electronic and optical properties of D-band perovskites Thomas Wolfram, Şinasi Ellialtıoğlu |
| title_full_unstemmed | Electronic and optical properties of D-band perovskites Thomas Wolfram, Şinasi Ellialtıoğlu |
| title_short | Electronic and optical properties of D-band perovskites |
| title_sort | electronic and optical properties of d band perovskites |
| topic | Perovskite Perowskit (DE-588)4173836-6 gnd |
| topic_facet | Perovskite Perowskit |
| url | http://www.loc.gov/catdir/enhancements/fy0707/2007295339-d.html http://www.loc.gov/catdir/enhancements/fy0707/2007295339-t.html http://www.loc.gov/catdir/enhancements/fy0733/2007295339-b.html http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016796464&sequence=000004&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT wolframthomas electronicandopticalpropertiesofdbandperovskites AT ellialtıoglusinasi electronicandopticalpropertiesofdbandperovskites |