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Records |
Links |
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Author |
Verbist, K.; Lebedev, O.I.; Verhoeven, M.A.J.; Winchern, R.; Rijnders, A.J.H.M.; Blank, D.H.A.; Tafuri, F.; Bender, H.; Van Tendeloo, G. |
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|
Title |
Microstructure of YBa2Cu3O7-\delta Josephson junctions in relation to their properties |
Type |
A1 Journal article |
|
Year |
1998 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
|
|
Volume |
11 |
Issue |
|
Pages |
13-20 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000071820300005 |
Publication Date |
2002-08-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
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ISSN |
0953-2048;1361-6668; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.878 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.878; 1998 IF: 2.050 |
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|
Call Number |
UA @ lucian @ c:irua:22112 |
Serial |
2075 |
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Permanent link to this record |
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Author |
Vasiliev, A.L.; Van Tendeloo, G.; Boikov, Y.; Olsson, E.; Ivanov, S. |
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Title |
Microstructure of YBa2Cu3O7-x films on buffered Si for microelectronic applications |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
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|
Volume |
10 |
Issue |
|
Pages |
356-365 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
A1997WY69100015 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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|
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ISSN |
0953-2048 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.878 |
Times cited |
2 |
Open Access |
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|
Notes |
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Approved |
Most recent IF: 2.878; 1997 IF: 2.183 |
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Call Number |
UA @ lucian @ c:irua:21434 |
Serial |
2076 |
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Permanent link to this record |
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Author |
Chen, J.H.; Van Tendeloo, G. |
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Title |
Microstructure of tough polycrystalline natural diamond |
Type |
A1 Journal article |
|
Year |
1999 |
Publication |
Journal of electron microscopy |
Abbreviated Journal |
Microscopy-Jpn |
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Volume |
48 |
Issue |
|
Pages |
121-129 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Tokyo |
Editor |
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Language |
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Wos |
000079814900005 |
Publication Date |
2012-04-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-0744;1477-9986; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.9 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:29710 |
Serial |
2077 |
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Permanent link to this record |
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Author |
Schryvers, D.; Boullay, P.; Potapov, P.L.; Kohn, R.V.; Ball, J.M. |
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Title |
Microstructures and interfaces in Ni-Al martensite: comparing HRTEM observations with continuum theories |
Type |
A1 Journal article |
|
Year |
2002 |
Publication |
International journal of solids and structures |
Abbreviated Journal |
Int J Solids Struct |
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Volume |
39 |
Issue |
|
Pages |
3543-3554 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000176752500014 |
Publication Date |
2002-10-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-7683; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.76 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.76; 2002 IF: 1.080 |
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Call Number |
UA @ lucian @ c:irua:48771 |
Serial |
2078 |
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Permanent link to this record |
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Author |
Schryvers, D. |
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Title |
Microtwin sequences in thermoelastic NixAl100-x martensite studied by conventional and high resolution transmission electron microscopy |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
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Volume |
68 |
Issue |
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Pages |
1017-1032 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1993MF59100016 |
Publication Date |
2007-07-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0141-8610;1460-6992; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
37 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:6779 |
Serial |
2079 |
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Permanent link to this record |
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Author |
Colomer, J.-F.; Marega, R.; Traboulsi, H.; Meneghetti, M.; Van Tendeloo, G.; Bonifazi, D. |
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Title |
Microwave-assisted bromination of double-walled carbon nanotubes |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
21 |
Issue |
20 |
Pages |
4747-4749 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000270807800001 |
Publication Date |
2009-09-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
9.466 |
Times cited |
46 |
Open Access |
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Notes |
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Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
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|
Call Number |
UA @ lucian @ c:irua:94504 |
Serial |
2080 |
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Permanent link to this record |
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Author |
Benedict, M.G.; Földi, P.; Peeters, F.M. |
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Title |
Microwave emission from a crystal of molecular magnets: the role of a resonant cavity |
Type |
A1 Journal article |
|
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
72 |
Issue |
21 |
Pages |
214430,1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000234335400099 |
Publication Date |
2005-12-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
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|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
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|
Call Number |
UA @ lucian @ c:irua:56302 |
Serial |
2081 |
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Permanent link to this record |
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Author |
Helm, M.; Hilber, W.; Fromherz, T.; Peeters, F.M.; Alavi, K.; Pathak, R.N. |
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Title |
Mini-band dispersion, critical points, and impurity bands in superlattices: an infrared absorption study |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
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Volume |
37 |
Issue |
|
Pages |
1277-1280 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
A1994NE79600171 |
Publication Date |
2002-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0038-1101; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
1.504 |
Times cited |
2 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
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|
Call Number |
UA @ lucian @ c:irua:9372 |
Serial |
2082 |
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Permanent link to this record |
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Author |
Lakrimi, M.; Khym, S.; Symons, D.M.; Nicholas, R.J.; Peeters, F.M.; Mason, N.J.; Walker, P.J. |
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Title |
Mini-gaps and novel giant negative magnetoresistance in InAs/GaSb semimetallic superlattice |
Type |
A1 Journal article |
|
Year |
1998 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
|
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Volume |
2 |
Issue |
|
Pages |
363-367 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000075383500076 |
Publication Date |
2002-07-25 |
|
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
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ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.221 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.221; 1998 IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:24186 |
Serial |
2083 |
|
Permanent link to this record |
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Author |
Lakrimi, M.; Khym, S.; Nicholas, R.J.; Symons, D.M.; Peeters, F.M.; Mason, N.J.; Walker, P.J. |
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|
Title |
Mini-gaps and novel giant negative magnetoresistance in InAs/GaSb semimetallic superlattices |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
|
Volume |
79 |
Issue |
|
Pages |
3034-3037 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1997YB66400029 |
Publication Date |
0000-00-00 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
8.462 |
Times cited |
66 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 8.462; 1997 IF: 6.140 |
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|
Call Number |
UA @ lucian @ c:irua:19283 |
Serial |
2084 |
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Permanent link to this record |
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|
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Author |
Helm, M.; Hilber, W.; Strasser, G.; de Meester, R.; Peeters, F.M. |
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|
Title |
Minibands and Wannier-Strak ladders in semiconductor superlattices studied by infrared spectroscopy |
Type |
A1 Journal article |
|
Year |
1999 |
Publication |
Brazilian journal of physics |
Abbreviated Journal |
Braz J Phys |
|
|
Volume |
29 |
Issue |
|
Pages |
652-660 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
São Paulo |
Editor |
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Language |
|
Wos |
000084353900008 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0103-9733 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
0.732 |
Times cited |
6 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 0.732; 1999 IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:28511 |
Serial |
2085 |
|
Permanent link to this record |
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Author |
Nicholas, R.J.; Lakrimi, M.; Khym, S.W.; Mason, N.J.; Poulter, A.J.L.; Vaughan, T.; Walker, P.J.; Maude, D.K.; Portal, J.C.; Symons, D.M.; Peeters, F.M. |
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|
Title |
Minigaps and the quantum Hall effect in broken gap InAs/GaSb heterostructures |
Type |
A1 Journal article |
|
Year |
1998 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
|
|
Volume |
256/258 |
Issue |
|
Pages |
207-214 |
|
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000077775900042 |
Publication Date |
2002-07-25 |
|
|
Series Editor |
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Series Title |
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Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.386 |
Times cited |
3 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.386; 1998 IF: 0.619 |
|
|
Call Number |
UA @ lucian @ c:irua:24178 |
Serial |
2086 |
|
Permanent link to this record |
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Author |
Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S. |
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Title |
Misfit accommodation of epitaxial La1-xAxMnO3 (A=Ca, Sr) thin films |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
International journal of inorganic materials |
Abbreviated Journal |
Int J Inorg Mater |
|
|
Volume |
3 |
Issue |
8 |
Pages |
1331-1337 |
|
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
|
Wos |
000172877700054 |
Publication Date |
2002-07-25 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1466-6049; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:54830 |
Serial |
2087 |
|
Permanent link to this record |
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|
|
|
Author |
Hervieu; Van Tendeloo, G.; Michel; Pelloquin; Raveau |
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|
Title |
Mixed layers in copper based superconducting materials |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Microscopy, microanalysis, microstructures |
Abbreviated Journal |
|
|
|
Volume |
7 |
Issue |
2 |
Pages |
107-141 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Recently discovered series of high Tc superconductors, characterized by the existence of two types of cations within the same layer, are presented. The first family concerns the mercury based cuprates, Hg(1-x)M(x)A(2)Ca(m-1)Cu(m)O(2m+2+delta), with A = Ba and/or Sr, which exhibit structures closely related to that of the thallium cuprates TlBa2Cam-1CumO2m+3. They differ from the thallium cuprates by a high oxygen deficiency at the level of the mercury layer. It is shown that cations such as M = Cu, Pb, Tl, Bi, Ce, Pr, Cr, V, Mo, W, Ti, Sr, Ca,... can partially substitute for mercury ions, stabilizing the structures. The cationic composition of the layer depends indeed on the nature of the M cation but also on that of the alkaline earth A. For given A and M cations, the a: value remains unchanged even when the number of copper layers varies. M and Hg cations are either statistically distributed over the same site or ordered. Different types of ordering have been detected. Another way of generating mixed layers is to shear periodically the structure, leading to the formation of the so called ''collapsed phase''. In the collapsed bismuth cuprates, bismuth and copper segments, a few octahedra long, alternate in strongly waving layers. In the collapsed oxycarbonates, carbonate groups and M cations are ordered within the intermediate layer so that they can be simply described from a partial and ordered substitution of carbon for Hg,TI, Bi and other M cations building the intermediate layer. The oxycarbonitrates (Y1-xCax)(n)Ba2nCu3n-1(C,N)O3O7n-3 can also be described as an ordered substitution of carbon for copper in the 123 matrix. The different families of superconducting materials which are generated by such mechanisms are described as well as the way the different species are distributed within the mixed layers. Their influence on the physical properties are discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Ivry |
Editor |
|
|
|
Language |
|
Wos |
A1996VA22000004 |
Publication Date |
2003-08-13 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1154-2799; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:95287 |
Serial |
2088 |
|
Permanent link to this record |
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|
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Author |
Isaeva, A.A.; Makarevich, O.N.; Kutznetsov, A.N.; Doert, T.; Abakumov, A.M.; Van Tendeloo, G. |
|
|
Title |
Mixed tellurides Ni3-xGaTe2 (0\leq x\leq0.65): crystal and electronic structures, properties, and nickel deficiency effects on vacancy ordering |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
European journal of inorganic chemistry |
Abbreviated Journal |
Eur J Inorg Chem |
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Volume |
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Issue |
9 |
Pages |
1395-1404 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The Ni3-xGaTe2 series of compounds (0 x 0.65) was synthesized by a high-temperature ceramic technique at 750 °C. Crystal structures of three compounds in the series were determined by X-ray powder diffraction: Ni2.98(1)GaTe2 (RI = 0.042, Rp = 0.023, Rwp = 0.035), Ni2.79(1)GaTe2 (RI = 0.053, Rp = 0.028, Rwp = 0.039), Ni2.58(1)GaTe2 (RI = 0.081, Rp = 0.037, Rwp = 0.056); the structures were verified by electron diffraction and, for the former compound, high-resolution electron microscopy. The compounds crystallize in a hexagonal lattice with P63/mmc, and the structures can be regarded as a hexagonal close-packed array with a -Ga-Te-Te- stacking sequence. The octahedral and trigonal bipyramidal voids in the hcp structure are selectively filled with Ni atoms to form one entirely occupied and two partially occupied sites, thus allowing variations in the nickel content in the series of compounds Ni3-xGaTe2 (0 x 0.65). A superstructure with asup = 2asub (P63/mmc) has been identified for Ni3-xGaTe2 (0.5 x 0.65) by electron diffraction. Real-space, high-resolution images confirm an ordering of Ni atoms and vacancies inthe ab plane. Quantum-chemical calculations performed forNi3-xGaTe2 (x = 0, 0.25, 0.75, 1) suggest anisotropic metallic conductivity and Pauli paramagnetic behavior that are experimentally confirmed for Ni3GaTe2. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000276370300009 |
Publication Date |
2010-02-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1434-1948;1099-0682; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.444 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.444; 2010 IF: 2.910 |
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Call Number |
UA @ lucian @ c:irua:82266 |
Serial |
2090 |
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Permanent link to this record |
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Author |
Lebedev, O.I.; Bals, S.; Van Tendeloo, G.; Snoeck, G.E.; Retoux, R.; Boudin, S.; Hervieu, M. |
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Title |
Mixed (Sr1-xCax)33Bi24Al48O141 fullerenoids: the defect structure analysed by (S)TEM techniques |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
International journal of materials research |
Abbreviated Journal |
Int J Mater Res |
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Volume |
97 |
Issue |
7 |
Pages |
978-984 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
(Sr1-xCax)(33)Bi-24,partial derivative Al48O141+3 partial derivative/2 fullerenoid solid solutions have been synthesized and the effect of partial substitution of Sr by Ca has been characterized by (scanning) transmission electron microscopy, applying different imaging methods. Most of the defects commonly observed in face centered cubic compounds, have also been observed in (Sr1-xCax)(33)Bi24-partial derivative Al48O141+3 partial derivative/2. Based on purely geometrical and topological models, structural presentations for the coherent twin boundaries and stacking faults have been constructed on the basis of complex spherical “Al84O210” units. The results are compared to defects observed in the crystallite fullerite C-60. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000239916700017 |
Publication Date |
2013-12-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1862-5282;2195-8556; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.681 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.681; 2006 IF: NA |
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Call Number |
UA @ lucian @ c:irua:60966 |
Serial |
2091 |
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Permanent link to this record |
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Author |
Lieberman, C.M.; Filatov, A.S.; Wei, Z.; Rogachev, A.Y.; Abakumov, A.M.; Dikarev, E.V. |
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Title |
Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
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Volume |
6 |
Issue |
6 |
Pages |
2835-2842 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A novel series of mixed-valent, heteroleptic transition metal diketonates that can be utilized as prospective single-source precursors for the low-temperature preparation of oxide materials are reported. The first mixed-valent iron beta-diketonates with different Fe-III/Fe-II ratios have been synthesized by applying the mixed-ligand approach. Based on nearly quantitative reaction yields and analysis of iron-oxygen bonds, these compounds were formulated as [Fe-III(acac)(3)][Fe-II(hfac)(2)] (1) and [Fe-II(hfac)(2)][Fe-III(acac)(3)][Fe-II(hfac)(2)] (2). In the above heteroleptic complexes, the Lewis acidic, coordinatively unsaturated Fe-II centers chelated by two hfac (hexafluoroacetylacetonate) ligands with electron-withdrawing substituents maintain bridging interactions with oxygen atoms of electron-donating acac (acetylacetonate) groups that chelate the neighboring Fe-III atoms. Switching the ligands on Fe-III and Fe-II atoms in starting reagents resulted in the instant ligand exchange between iron centers and in yet another polynuclear homometallic diketonate [Fe-II(hfac)(2)][Fe-III(acac)(2)(hfac)][Fe-II(hfac)(2)] (3) that adheres to the same bonding pattern as in complexes 1 and 2. The proposed synthetic methodology has been extended to design heterometallic diketonates with different M : M' ratios. Homometallic parent molecules have been used as templates to obtain heterometallic mixed-valent [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Ni-II(hfac)(2)] – [Fe-III(acac)(3)][Ni-II(hfac)(2)] (5) complexes. The combination of two different diketonate ligands with electron-donating and electron-withdrawing substituents was found to be crucial for maintaining the above mixed-valent heterometallic assemblies. Theoretical investigation of two possible “isomers”, [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Mn-III(acac)(3)][Fe-II(hfac)(2)] (40) provided an additional support for the metal site assignment giving a preference of 9.78 kcal mol(-1) for the molecule 4. Heterometallic complexes obtained in the course of this study have been found to act as effective single-source precursors for the synthesis of mixed-transition metal oxide materials MxM2-xO3 and MxMi-xO. The title highly volatile precursors can be used for the low-temperature preparation of both amorphous and crystalline heterometallic oxides in the form of thin films or nanosized particles that are known to operate as efficient catalysts in oxygen evolution reaction. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000353223100021 |
Publication Date |
2015-02-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2041-6520;2041-6539; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.668 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 8.668; 2015 IF: 9.211 |
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Call Number |
c:irua:126031 |
Serial |
2092 |
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Permanent link to this record |
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Author |
Daniel, P.; Barbey, L.; Groult, D.; Nguyen, N.; Van Tendeloo, G.; Raveau, B. |
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Title |
Mixed valent iron oxides with the 0201-1201 intergrowth structure: (Pb1-xTlx)Sr4Fe2O9 (0≤x≤1) |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
European journal of solid state and inorganic chemistry |
Abbreviated Journal |
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Volume |
31 |
Issue |
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Pages |
235-244 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
A1994NQ48700004 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0992-4361 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
12 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:10030 |
Serial |
2093 |
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Permanent link to this record |
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Author |
Dixon, E.; Hadermann, J.; Ramos, S.; Goodwin, A.L.; Hayward, M.A. |
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Title |
Mn(I) in an extended oxide : the synthesis and characterization of La1-xCaxMnO2+\delta (0.6\leq x\leq1) |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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Volume |
133 |
Issue |
45 |
Pages |
18397-18405 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Reduction of La1xCaxMnO3 (0.6 ≤ x ≤ 1) perovskite phases with sodium hydride yields materials of composition La1xCaxMnO2+δ. The calcium-rich phases (x = 0.9, 1) adopt (La0.9Ca0.1)0.5Mn0.5O disordered rocksalt structures. However local structure analysis using reverse Monte Carlo refinement of models against pair distribution functions obtained from neutron total scattering data reveals lanthanum-rich La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases adopt disordered structures consisting of an intergrowth of sheets of MnO6 octahedra and sheets of MnO4 tetrahedra. X-ray absorption data confirm the presence of Mn(I) centers in La1xCaxMnO2+δ phases with x < 1. Low-temperature neutron diffraction data reveal La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases become antiferromagnetically ordered at low temperature. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000297381200065 |
Publication Date |
2011-10-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0002-7863;1520-5126; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.858 |
Times cited |
33 |
Open Access |
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Notes |
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Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
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Call Number |
UA @ lucian @ c:irua:94030 |
Serial |
2094 |
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Permanent link to this record |
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Author |
Bougrioua, Z.; Farvacque, J.-L.; Moerman, I.; Demeester, P.; Harris, J.J.; Lee, K.; Van Tendeloo, G.; Lebedev, O.; Trush, E.J. |
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Title |
Mobility collapse in undoped and Si-doped GaN grown by LP-MOVPE |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
216 |
Issue |
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Pages |
571-576 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000084193900110 |
Publication Date |
2002-09-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 1999 IF: 0.978 |
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Call Number |
UA @ lucian @ c:irua:29724 |
Serial |
2095 |
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Permanent link to this record |
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Author |
Xu, Y.; Jia, D.-J.; Chen, Z.; Gao, Y.; Li, F.-S. |
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Title |
The mode-deviation effect of trapped spinor bose gas beyond mean field theory |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
International journal of modern physics: B: condensed matter physics, statistical physics, applied physics |
Abbreviated Journal |
Int J Mod Phys B |
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Volume |
18 |
Issue |
9 |
Pages |
1339-1349 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The deviation effect of spinor mode from the single-mode for a spin-1 Bose gas of trapped atoms is studied beyond the mean field theory. Based on the effective Hamiltonian with nondegenerated level of the collective spin states, the splitting level of the system energy due to the deviation effect has been calculated. For the large condensates of (87)Rb and (23)Na with atom number N > 10(5), the splitting fraction of the energy, arising from the magnetization exhibited by the trapped Bose gas, is found to have a typical order of (10(-4) similar to 10(-8)), decreasing as N(-2) for (87)Rb and increasing as -N(-2) for 23 Na, respectively. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Singapore |
Editor |
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Language |
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Wos |
000222342400008 |
Publication Date |
2004-06-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0217-9792;1793-6578; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.736 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.736; 2004 IF: 0.361 |
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Call Number |
UA @ lucian @ c:irua:94805 |
Serial |
2096 |
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Permanent link to this record |
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Author |
van den Broek, W.; Van Aert, S.; van Dyck, D. |
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Title |
A model based atomic resolution tomographic algorithm |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
109 |
Issue |
12 |
Pages |
1485-1490 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
Tomography with high angular annular dark field scanning transmission electron microscopy at atomic resolution can be greatly improved if one is able to take advantage of prior knowledge. In this paper we present a reconstruction technique that explicitly takes into account the microscope parameters and the atomic nature of the projected object. This results in a more accurate estimate of the atomic positions and in a good resistance to noise. The reconstruction is a maximum likelihood estimator of the object. Moreover, the limits to the precision have been explored, allowing for a prediction of the amount of expected noise in the reconstruction for a certain experimental setup. We believe that the proposed reconstruction technique can be generalized to other tomographic experiments. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000271840200010 |
Publication Date |
2009-08-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
17 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.843; 2009 IF: 2.067 |
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Call Number |
UA @ lucian @ c:irua:78588 |
Serial |
2097 |
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Permanent link to this record |
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Author |
Van Aert, S.; van den Broek, W.; Goos, P.; van Dyck, D. |
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Title |
Model-based electron microscopy : from images toward precise numbers for unknown structure parameters |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Micron |
Abbreviated Journal |
Micron |
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Volume |
43 |
Issue |
4 |
Pages |
509-515 |
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Keywords |
A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
Statistical parameter estimation theory is proposed as a method to quantify electron microscopy images. It aims at obtaining precise and accurate values for the unknown structure parameters including, for example, atomic column positions and types. In this theory, observations are purely considered as data planes, from which structure parameters have to be determined using a parametric model describing the images. The method enables us to measure positions of atomic columns with a precision of the order of a few picometers even though the resolution of the electron microscope is one or two orders of magnitude larger. Moreover, small differences in averaged atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark field scanning transmission electron microscopy images. Finally, it is shown how to optimize the experimental design so as to attain the highest precision. As an example, the optimization of the probe size for nanoparticle radius measurements is considered. It is also shown how to quantitatively balance signal-to-noise ratio and resolution by adjusting the probe size. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000301702400003 |
Publication Date |
2011-11-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0968-4328; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.98 |
Times cited |
7 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 1.98; 2012 IF: 1.876 |
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Call Number |
UA @ lucian @ c:irua:94114 |
Serial |
2099 |
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Permanent link to this record |
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Author |
Verbeeck, J.; Bertoni, G. |
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Title |
Model-based quantification of EELS: is standardless quantification possible? |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Microchimica acta |
Abbreviated Journal |
Microchim Acta |
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Volume |
161 |
Issue |
3/4 |
Pages |
439-443 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Electron energy loss spectroscopy (EELS) is an ideal tool to obtain chemical information from nanoscale volumes. Quantification of the experimental spectra however has prevented for a long time access to the available information in a reliable and reproducible way. We present recent advances in model-based quantification of EELS spectra and show that we obtain the best possible precision for a given dataset, as well as remarkably good accuracies when applied to three different materials. The results are shown to be far superior over conventional quantification techniques and could hold a promise for standardless quantification of EELS spectra. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000256175600024 |
Publication Date |
2008-02-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-3672;1436-5073; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.58 |
Times cited |
5 |
Open Access |
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Notes |
Esteem 026019; Fwo; G.0425.05; Iap V; Goa 2005 |
Approved |
Most recent IF: 4.58; 2008 IF: 1.910 |
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Call Number |
UA @ lucian @ c:irua:69292UA @ admin @ c:irua:69292 |
Serial |
2100 |
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Permanent link to this record |
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Author |
Verbeeck, J.; Van Aert, S. |
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Title |
Model based quantification of EELS spectra |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
101 |
Issue |
2/4 |
Pages |
207-224 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Recent advances in model based quantification of electron energy loss spectra (EELS) are reported. The maximum likelihood method for the estimation of physical parameters describing an EELS spectrum, the validation of the model used in this estimation procedure, and the computation of the attainable precision, that is, the theoretical lower bound on the variance of these estimates, are discussed. Experimental examples on An and GaAs samples show the power of the maximum likelihood method and show that the theoretical prediction of the attainable precision can be closely approached even for spectra with overlapping edges where conventional EELS quantification fails. To provide end-users with a low threshold alternative to conventional quantification, a user friendly program was developed which is freely available under a GNU public license. (C) 2004 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000224046100016 |
Publication Date |
2004-07-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
147 |
Open Access |
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Notes |
Fwo; Iuap P5/01 |
Approved |
Most recent IF: 2.843; 2004 IF: 2.215 |
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Call Number |
UA @ lucian @ c:irua:57130UA @ admin @ c:irua:57130 |
Serial |
2101 |
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Permanent link to this record |
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Author |
Verbeeck, J.; Van Aert, S.; Bertoni, G. |
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Title |
Model-based quantification of EELS spectra: including the fine structure |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
106 |
Issue |
11-12 |
Pages |
976-980 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
An extension to model-based electron energy loss spectroscopy (EELS) quantification is reported to improve the possibility of modelling fine structure changes in electron energy loss spectra. An equalisation function is used in the energy loss near edge structure (ELNES) region to model the differences between a single atom differential cross section and the cross section for an atom in a crystal. The equalisation function can be shown to approximate the relative density of unoccupied states for the given excitation edge. On a set of 200 experimental h-BN spectra, this technique leads to statistically acceptable models resulting into unbiased estimates of relative concentrations and making the estimated precisions come very close to the Cramer-Rao lower bound (CRLB). The method greatly expands the useability of model-based EELS quantification to spectra with pronounced fine structure. Another benefit of this model is that one also gets an estimate of the unoccupied density of states for a given excitation edge, without having to do background removal and deconvolution, making the outcome intrinsically more reliable and less noisy. (c) 2006 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000241592900004 |
Publication Date |
2006-07-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
38 |
Open Access |
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Notes |
Goa; Fwo Iap-V |
Approved |
Most recent IF: 2.843; 2006 IF: 1.706 |
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Call Number |
UA @ lucian @ c:irua:61379UA @ admin @ c:irua:61379 |
Serial |
2102 |
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Permanent link to this record |
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Author |
Verbeeck, J.; Bertoni, G. |
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Title |
Model-based quantification of EELS spectra: treating the effect of correlated noise |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
108 |
Issue |
2 |
Pages |
74-83 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Correlated noise is generally present in experimentally recorded electron energy loss spectra due to a non-ideal electron detector. In this contribution we describe a method to experimentally measure the noise properties of the detector as well as the consequences it has for model-based quantification using maximum likelihood. The effect of the correlated noise on the maximum likelihood fitting results can be shown to be negligible for the estimated (co)variance of the parameters while an experimentally obtained scaling factor is required to correct the likelihood ratio test for the reduction of noise power with frequency. Both effects are derived theoretically under a set of approximations and tested for a range of signal-to-noise values using numerical experiments. Finally, an experimental example shows that the correction for correlated noise is essential and should always be included in the fitting procedure. (c) 2007 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000252816900002 |
Publication Date |
2007-03-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
16 |
Open Access |
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Notes |
FWO nr G.0147.06; ESTEEM 026019 |
Approved |
Most recent IF: 2.843; 2008 IF: 2.629 |
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Call Number |
UA @ lucian @ c:irua:67602UA @ admin @ c:irua:67602 |
Serial |
2103 |
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Permanent link to this record |
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Author |
van den Broek, W.; Van Aert, S.; van Dyck, D. |
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Title |
A model based reconstruction technique for depth sectioning with scanning transmission electron microscopy |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
110 |
Issue |
5 |
Pages |
548-554 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
Depth sectioning in high angular annular dark field scanning transmission electron microscopy is considered a candidate for three-dimensional characterization on the atomic scale. However at present the depth resolution is still far from the atomic level, due to strong limitations in the opening angle of the beam. In this paper we introduce a new, parameter based tomographic reconstruction algorithm that allows to make maximal use of the prior knowledge about the constituent atom types and the microscope settings, so as to retrieve the atomic positions and push the resolution to the atomic level in all three dimensions. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000279065700022 |
Publication Date |
2009-09-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
16 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 2.843; 2010 IF: 2.063 |
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Call Number |
UA @ lucian @ c:irua:83690 |
Serial |
2104 |
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Permanent link to this record |
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Author |
Vandenberghe, W.G.; Verhulst, A.S.; Kao, K.-H.; De Meyer, K.; Sorée, B.; Magnus, W.; Groeseneken, G. |
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Title |
A model determining optimal doping concentration and material's band gap of tunnel field-effect transistors |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
100 |
Issue |
19 |
Pages |
193509-193509,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We develop a model for the tunnel field-effect transistor (TFET) based on the Wentzel-Kramer-Brillouin approximation which improves over existing semi-classical models employing generation rates. We hereby introduce the concept of a characteristic tunneling length in direct semiconductors. Based on the model, we show that a limited density of states results in an optimal doping concentration as well as an optimal material's band gap to obtain the highest TFET on-current at a given supply voltage. The observed optimal-doping trend is confirmed by 2-dimensional quantum-mechanical simulations for silicon and germanium. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4714544] |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000304108000098 |
Publication Date |
2012-05-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
25 |
Open Access |
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Notes |
; William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by IMEC's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
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Call Number |
UA @ lucian @ c:irua:98948 |
Serial |
2105 |
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Permanent link to this record |
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Author |
Eckert, M.; Neyts, E.; Bogaerts, A. |
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Title |
Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
CrystEngComm |
Abbreviated Journal |
Crystengcomm |
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Volume |
11 |
Issue |
8 |
Pages |
1597-1608 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this paper, a new implementation of the Metropolis Monte Carlo (MMC) algorithm is presented. When combining the MMC model with a molecular dynamics (MD) code, crystal growth by plasma-enhanced chemical vapor deposition can be simulated. As the MD part simulates impacts of growth species onto the surface on a time scale of picoseconds, the MMC algorithm simulates the slower adatom surface processes. The implementation includes a criterion for the selection of atoms that are allowed to be displaced during the simulation, and a criterion of after how many MMC cycles the simulation is stopped. We performed combined MD-MMC simulations for hydrocarbon species that are important for the growth of ultrananocrystalline diamond (UNCD) films at partially hydrogenated diamond surfaces, since this implementation is part of a study of the growth mechanisms of (ultra)nanocrystalline diamond films. Exemplary for adatom arrangements during the growth of UNCD, the adatom surface behavior of C and C2H2 at diamond (111)1 × 1, C and C4H2 at diamond (111)1 × 1 and C3 at diamond (100)2 × 1 has been investigated. For all cases, the diamond crystal structure is pursued under the influence of MMC simulation. Additional longer time-scale MD simulations put forward very similar structures, verifying the MMC algorithm. Nevertheless, the MMC simulation time is typically one order of magnitude shorter than the MD simulation time. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000268184300021 |
Publication Date |
2009-04-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1466-8033; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.474 |
Times cited |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.474; 2009 IF: 4.183 |
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Call Number |
UA @ lucian @ c:irua:77374 |
Serial |
2106 |
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Permanent link to this record |