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Records |
Links |
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Author |
Bussmann-Holder, A.; Michel, K.H. |
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Title |
Bond geometry and phase transition mechanism of H-bonded ferroelectricity |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
80 |
Issue |
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Pages |
2173-2176 |
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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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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000072385400037 |
Publication Date |
2002-07-27 |
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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 |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
81 |
Open Access |
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Notes |
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Approved |
Most recent IF: 8.462; 1998 IF: 6.017 |
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Call Number |
UA @ lucian @ c:irua:23987 |
Serial |
246 |
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Permanent link to this record |
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Author |
da Costa, W.B.; Peeters, F.M. |
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Title |
The polaron-bipolaron transition for acoustical three-dimensional polarons |
Type |
A1 Journal article |
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Year |
1996 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
8 |
Issue |
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Pages |
2173-2183 |
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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 |
London |
Editor |
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Language |
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Wos |
A1996UD88400009 |
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 |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.346 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
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Call Number |
UA @ lucian @ c:irua:15799 |
Serial |
2661 |
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Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B. |
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Title |
Theory of the elastic constants of graphite and graphene |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
245 |
Issue |
10 |
Pages |
2177-2180 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Born's long wave method is used to study the elastic properties of graphite and graphene. Starting from an empirical force constant model derived from full inplane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)] we calculate the tension coefficients of graphene. Extending the model by interplanar interactions, we calculate the elastic constants of graphite. The agreement of our theoretical values with inelastic x-ray scattering results on elastic constants of graphite [Bosak et al., Phys. Rev. B 75, 153408 (2007)] is very satisfactory. |
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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 |
000260581800066 |
Publication Date |
2008-08-25 |
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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 |
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Edition |
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ISSN |
0370-1972; |
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 |
47 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2008 IF: 1.166 |
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Call Number |
UA @ lucian @ c:irua:75660 |
Serial |
3621 |
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Permanent link to this record |
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Author |
Papp, G.; Peeters, F.M. |
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Title |
Spin filtering in a magnetic-potential barrier structures |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
78 |
Issue |
|
Pages |
2184-2186 |
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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 |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000167881500031 |
Publication Date |
2002-07-26 |
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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 |
234 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2001 IF: 3.849 |
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Call Number |
UA @ lucian @ c:irua:37312 |
Serial |
3089 |
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Permanent link to this record |
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Author |
Vos, W.; de Backer, J.; Devolder, A.; Vanderveken, O.; Verhulst, S.; Salgado, R.; Germonpré, P.; Partoens, B.; Wuyts, F.; Parizel, P.; de Backer, W. |
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Title |
Correlation between severity of sleep apnea and upper airway morphology based on advanced anatomical and functional imaging |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of biomechanics |
Abbreviated Journal |
J Biomech |
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Volume |
40 |
Issue |
10 |
Pages |
2207-2213 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW) |
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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 |
000248468000011 |
Publication Date |
2006-12-19 |
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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 |
0021-9290; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.664 |
Times cited |
86 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.664; 2007 IF: 2.897 |
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Call Number |
UA @ lucian @ c:irua:62425 |
Serial |
523 |
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Permanent link to this record |
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Author |
Vagov, A.; Croitoru, M.D.; Axt, V.M.; Kuhn, T.; Peeters, F.M. |
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Title |
High pulse area undamping of Rabi oscillations in quantum dots coupled to phonons |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Physica status solidi B – Basic solid state physics |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
243 |
Issue |
10 |
Pages |
2233-2240 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); 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 |
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Editor |
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Language |
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Wos |
000239932300005 |
Publication Date |
2006-07-27 |
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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 |
16 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2006 IF: 0.967 |
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Call Number |
UA @ lucian @ c:irua:60891 |
Serial |
1440 |
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Permanent link to this record |
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Author |
Krugel, A.; Axt, V.M.; Kuhn, T.; Vagov, A.; Peeters, F.M. |
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Title |
Coherent nonlinear optical response of excitons and biexcitons in quantum dots coupled to phonons |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Physica status solidi B – basic solid state physics |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
243 |
Issue |
10 |
Pages |
2241-2246 |
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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 |
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Editor |
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Language |
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Wos |
000239932300006 |
Publication Date |
2006-08-15 |
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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 |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2006 IF: 0.967 |
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Call Number |
UA @ lucian @ c:irua:60892 |
Serial |
380 |
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Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
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Title |
Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
22 |
Issue |
4 |
Pages |
2249-2261 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets. |
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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 |
000510729400042 |
Publication Date |
2019-12-24 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
18 |
Open Access |
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Notes |
; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:166553 |
Serial |
6476 |
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Permanent link to this record |
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Author |
Shi, J.M.; Peeters, F.M.; Devreese, J.T.; Cheng, J.-P.; Kono, J.; McCombe, B.D. |
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Title |
Effects of confinement in strongly-coupled superlattices on impurity bound magneto-polarons |
Type |
P3 Proceeding |
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Year |
1994 |
Publication |
Proceedings of the International Conference on the Physics of Semiconductors |
Abbreviated Journal |
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Volume |
22 |
Issue |
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Pages |
2267-2270 |
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Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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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 |
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Editor |
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Language |
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Wos |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:9285 |
Serial |
858 |
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Permanent link to this record |
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Author |
Verberck, B.; Michel, K.H. |
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Title |
Nanotube field of C60 and C70 molecules in carbon nanotubes |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
International journal of quantum chemistry |
Abbreviated Journal |
Int J Quantum Chem |
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Volume |
107 |
Issue |
13 |
Pages |
2294-2319 |
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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 |
000249459800002 |
Publication Date |
2007-02-20 |
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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 |
0020-7608;1097-461X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.92 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.92; 2007 IF: 1.368 |
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Call Number |
UA @ lucian @ c:irua:65785 |
Serial |
2282 |
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Permanent link to this record |
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Author |
Croitoru, M.D.; Gladilin, V.N.; Fomin, V.M.; Devreese, J.T.; Magnus, W.; Schoenmaker, W.; Sorée, B. |
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Title |
Quantum transport in a nanosize double-gate metal-oxide-semiconductor field-effect transistor |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
96 |
Issue |
|
Pages |
2305-2310 |
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Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT); 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 |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000223055100081 |
Publication Date |
2004-08-02 |
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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 |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.068 |
Times cited |
14 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.068; 2004 IF: 2.255 |
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Call Number |
UA @ lucian @ c:irua:49454 |
Serial |
2792 |
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Permanent link to this record |
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Author |
Xu, W.; Peeters, F.M.; Devreese, J.T. |
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Title |
Normal and hot electro-phonon resonance effect in a quasi-two-dimensional semiconductor system |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
5 |
Issue |
15 |
Pages |
2307-2320 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
The electro-phonon resonance effect is a consequence of a resonant interaction between two electric subbands mediated by an optical phonon. It occurs in a quasi-two-dimensional electron system each time the energy difference between two electric subbands equals the energy of a Lo phonon. We study the influence of this effect on the electron mobility by using the momentum balance equation. The temperature and electron density dependences of the resonances are studied in the linear and non-linear response regimes. |
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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 |
A1993KX70100004 |
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 |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.346 |
Times cited |
18 |
Open Access |
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Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:102984 |
Serial |
2367 |
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Permanent link to this record |
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Author |
Michel, K.H.; Neek-Amal, M.; Peeters, F.M. |
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Title |
Static flexural modes and piezoelectricity in 2D and layered crystals |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
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Volume |
253 |
Issue |
253 |
Pages |
2311-2315 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Piezo- and flexoelectricity are manifestations of electromechanical coupling in solids with potential applications in nanoscale materials. Naumov etal. [Phys. Rev. Lett. 102, 217601 (2009)] have shown by first principles calculations that a monolayer BN sheet becomes macroscopically polarized in-plane when in a corrugated state. Here, we investigate the interplay of layer corrugation and in-plane polarization by atomistic lattice dynamics. We treat the coupling between static flexural modes and in-plane atomic ion displacements as an anharmonic effect, similar to the membrane effect that is at the origin of negative thermal expansion in layered crystals. We have derived analytical expressions for the corrugation-induced static in-plane strains and the optical displacements with the resulting polarization response functions. Beyond h-BN, the theory applies to transition metal dichalcogenides and dioxides. Numerical calculations show that the effects are considerably stronger for 2D h-BN than for 2H-MoS2. |
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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 |
000390339000002 |
Publication Date |
2016-10-21 |
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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 |
0370-1972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.674 |
Times cited |
5 |
Open Access |
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Notes |
; The authors acknowledge useful discussions with L. Wirtz, A. Molina-Sanchez, and C. Sevik. This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 1.674 |
|
|
Call Number |
UA @ lucian @ c:irua:140309 |
Serial |
4462 |
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Permanent link to this record |
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Author |
Matulis, A.; Zarenia, M.; Peeters, F.M. |
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Title |
Wave fronts and packets in 1D models of different meta-materials : graphene, left-handed media and transmission line |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
252 |
Issue |
252 |
Pages |
2330-2338 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
A comparative study is made of the propagation of wave packets and fronts in three different meta-media, i.e. graphene, left-handed media (LHM) and transmission lines, using one-dimensional models. It is shown that a potential step in graphene influences only the frequency of the electronic wave, i.e., the particular spectrum branch (electron or hole) to which the wave belongs to, while the envelop function (the wave front or packet form) remains unchanged. Although the model for a vacuum and LHM interface is similar to that of the potential step in graphene, the solutions are quite different due to differences in the chirality of the waves. Comparing the propagation of wave fronts and packets in a standard transmission line and its meta-analog we demonstrate that the propagating packets in the meta-line are much more deformed as compared to the standard one, including broadening, asymmetry and even the appearance of fast moving precursors. This influence is seen not only in the case of packets with steep fronts but in soft Gaussian packets as well. |
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Address |
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Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
|
Language |
|
Wos |
000362722300025 |
Publication Date |
2015-07-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0370-1972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.674 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government, and the European Social Fund under the Global Grant Measure (Grant No. VP1-3.1-SMM-07-K-02-046). ; |
Approved |
Most recent IF: 1.674; 2015 IF: 1.489 |
|
|
Call Number |
UA @ lucian @ c:irua:128776 |
Serial |
4277 |
|
Permanent link to this record |
|
|
|
|
Author |
Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
|
|
Title |
MXenes/graphene heterostructures for Li battery applications : a first principles study |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
|
|
Volume |
6 |
Issue |
5 |
Pages |
2337-2345 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications. |
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Address |
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Cambridge |
Editor |
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|
|
Language |
|
Wos |
000423981200049 |
Publication Date |
2018-01-02 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
8.867 |
Times cited |
131 |
Open Access |
|
|
|
Notes |
; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; |
Approved |
Most recent IF: 8.867 |
|
|
Call Number |
UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 |
Serial |
4945 |
|
Permanent link to this record |
|
|
|
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Author |
Koenraad, P.M.; Shi, J.M.; van de Stadt, A.F.W.; Smets, A.; Perenboom, J.A.A.J.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H. |
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Title |
Charged-impurity correlations in a δ-doped quantum barrier |
Type |
P3 Proceeding |
|
Year |
1996 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
2351-2354 |
|
|
Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
|
|
Abstract |
|
|
|
Address |
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Corporate Author |
|
Thesis |
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Publisher |
World Scientific |
Place of Publication |
Singapore |
Editor |
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Language |
|
Wos |
|
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 |
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|
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:15806 |
Serial |
340 |
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Permanent link to this record |
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Author |
Shi, J.M.; Koenraad, P.M.; van de Stadt, A.F.W.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H. |
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|
Title |
Charged-impurity correlations in Si ?-doped GaAs |
Type |
P3 Proceeding |
|
Year |
1996 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
2351-2354 |
|
|
Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
|
|
Abstract |
|
|
|
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 |
|
Wos |
|
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 |
|
ISBN |
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Additional Links |
UA library record |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
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|
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # |
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|
Call Number |
UA @ lucian @ c:irua:20368 |
Serial |
341 |
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Permanent link to this record |
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Author |
Shi, J.M.; Koenraad, P.M.; van de Stadt, A.F.W.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H. |
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|
Title |
Effects of DX centers on electronic structure of a ?-doped quantum barrier |
Type |
P3 Proceeding |
|
Year |
1996 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
2355-2358 |
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Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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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 |
Singapore |
Editor |
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Language |
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Wos |
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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 |
|
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ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
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|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:20367 |
Serial |
860 |
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Permanent link to this record |
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Author |
Shi, J.M.; Koenraad, P.M.; van de Stadt, A.F.W.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H. |
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|
Title |
Effects of the DX centers on electronic structure of a δ-doped quantum barrier |
Type |
P3 Proceeding |
|
Year |
1996 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
2355-2358 |
|
|
Keywords |
P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
|
|
Abstract |
|
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|
Address |
|
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Corporate Author |
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Thesis |
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Publisher |
World Scientific |
Place of Publication |
Singapore |
Editor |
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Language |
|
Wos |
|
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 |
|
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:15807 |
Serial |
872 |
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Permanent link to this record |
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Author |
Yedukondalu, N.; Pandey, T.; Roshan, S.C.R. |
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|
Title |
Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
|
|
Volume |
6 |
Issue |
4 |
Pages |
2401-2411 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S. |
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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 |
|
Editor |
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Language |
|
Wos |
000929103700001 |
Publication Date |
2023-02-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.4 |
Times cited |
|
Open Access |
Not_Open_Access |
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|
Notes |
|
Approved |
Most recent IF: 6.4; 2023 IF: NA |
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|
Call Number |
UA @ admin @ c:irua:195245 |
Serial |
7300 |
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Permanent link to this record |
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Author |
Schweigert, V.A.; Peeters, F.M. |
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Title |
Flux penetration and expulsion in thin superconducting disks |
Type |
A1 Journal article |
|
Year |
1999 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
|
Volume |
83 |
Issue |
|
Pages |
2409-2412 |
|
|
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 |
|
Wos |
000082661100033 |
Publication Date |
2002-07-27 |
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|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
8.462 |
Times cited |
104 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 8.462; 1999 IF: 6.095 |
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|
Call Number |
UA @ lucian @ c:irua:26998 |
Serial |
1241 |
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Permanent link to this record |
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Author |
Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. |
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Title |
Excitons and trions in cylindrical nanowires with dielectric mismatch |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Physica status solidi: C: conferences and critical reviews |
Abbreviated Journal |
|
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|
Volume |
5 |
Issue |
7 |
Pages |
2416-2419 |
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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 |
Berlin |
Editor |
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Language |
|
Wos |
000257507200009 |
Publication Date |
2008-02-20 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
1862-6351; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
3 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:69641 |
Serial |
1127 |
|
Permanent link to this record |
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Author |
Schweigert, V.A.; Peeters, F.M. |
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Title |
Time dependent properties of classical artificial atoms |
Type |
A1 Journal article |
|
Year |
1998 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
10 |
Issue |
|
Pages |
2417-2435 |
|
|
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 |
|
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000072951000006 |
Publication Date |
2002-08-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
18 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.649; 1998 IF: 1.645 |
|
|
Call Number |
UA @ lucian @ c:irua:24175 |
Serial |
3665 |
|
Permanent link to this record |
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Author |
Michel, K.H.; Costamagna; Peeters, F.M. |
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Title |
Theory of thermal expansion in 2D crystals |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
|
Volume |
252 |
Issue |
252 |
Pages |
2433-2437 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The thermal expansion alpha(T) in layered crystals is of fundamental and technological interest. As suggested by I. M. Lifshitz in 1952, in thin solid films (crystalline membranes) a negative contribution to alpha(T) is due to anharmonic couplings between in-plane stretching modes and out-of-plane bending (flexural modes). Genuine in-plane anharmonicities give a positive contribution to alpha(T). The competition between these two effects can lead to a change of sign (crossover) from a negative value of alpha(T) in a temperature (T) range T <= T-alpha to a positive value of alpha(T) for T > T-alpha in layered crystals. Here, we present an analytical lattice dynamical theory of these phenomena for a two-dimensional (2D) hexagonal crystal. We start from a Hamiltonian that comprises anharmonic terms of third and fourth order in the lattice displacements. The in-plane and out-of-plane contributions to the thermal expansion are studied as functions of T for crystals of different sizes. Besides, renormalization of the flexural mode frequencies plays a crucial role in determining the crossover temperature T-alpha. Numerical examples are given for graphene where the anharmonic couplings are determined from experiments. The theory is applicable to other layer crystals wherever the anharmonic couplings are known. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Berlin |
Editor |
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Language |
|
Wos |
000364690400014 |
Publication Date |
2015-08-06 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0370-1972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.674 |
Times cited |
21 |
Open Access |
|
|
|
Notes |
; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the Euro GRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 1.674; 2015 IF: 1.489 |
|
|
Call Number |
UA @ lucian @ c:irua:130281 |
Serial |
4264 |
|
Permanent link to this record |
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|
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Author |
Goldoni, G.; Peeters, F.M. |
|
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Title |
Melting of a quantum Wigner crystal in bi-layer structures |
Type |
P3 Proceeding |
|
Year |
1996 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
2451-2454 |
|
|
Keywords |
P3 Proceeding; Condensed Matter Theory (CMT) |
|
|
Abstract |
|
|
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
World Scientific |
Place of Publication |
Singapore |
Editor |
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Language |
|
Wos |
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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 |
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Series Issue |
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Edition |
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ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:15808 |
Serial |
1984 |
|
Permanent link to this record |
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|
|
|
Author |
Pinto, N.; McNaughton, B.; Minicucci, M.; Milošević, M.V.; Perali, A. |
|
|
Title |
Electronic transport mechanisms correlated to structural properties of a reduced graphene oxide sponge |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
|
|
Volume |
11 |
Issue |
10 |
Pages |
2503 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
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Abstract |
We report morpho-structural properties and charge conduction mechanisms of a foamy “graphene sponge ”, having a density as low as & AP;0.07 kg/m3 and a carbon to oxygen ratio C:O & SIME; 13:1. The spongy texture analysed by scanning electron microscopy is made of irregularly-shaped millimetres-sized small flakes, containing small crystallites with a typical size of & SIME;16.3 nm. A defect density as high as & SIME;2.6 x 1011 cm-2 has been estimated by the Raman intensity of D and G peaks, dominating the spectrum from room temperature down to & SIME;153 K. Despite the high C:O ratio, the graphene sponge exhibits an insulating electrical behavior, with a raise of the resistance value at & SIME;6 K up to 5 orders of magnitude with respect to the room temperature value. A variable range hopping (VRH) conduction, with a strong 2D character, dominates the charge carriers transport, from 300 K down to 20 K. At T < 20 K, graphene sponge resistance tends to saturate, suggesting a temperature-independent quantum tunnelling. The 2D-VRH conduction originates from structural disorder and is consistent with hopping of charge carriers between sp2 defects in the plane, where sp3 clusters related to oxygen functional groups act as potential barriers.</p> |
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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 |
000713174500001 |
Publication Date |
2021-09-28 |
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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 |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.553 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.553 |
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Call Number |
UA @ admin @ c:irua:184050 |
Serial |
6988 |
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Permanent link to this record |
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Author |
Tso, H.C.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Direct Coulomb and phonon-mediated coupling between spatially separated electron gases |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
68 |
Issue |
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Pages |
2516-2519 |
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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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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1992HP80100028 |
Publication Date |
2002-07-27 |
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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 |
0031-9007; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.512 |
Times cited |
106 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:3003 |
Serial |
709 |
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Permanent link to this record |
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Author |
Földi, P.; Kálmán, O.; Benedict, M.G.; Peeters, F.M. |
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Title |
Networks of quantum nanorings : programmable spintronic devices |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
8 |
Issue |
8 |
Pages |
2556-2558 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
An array of quantum rings with local (ring by ring) modulation of the spin orbit interaction (SOI) can lead to novel effects in spin state transformation of electrons. It is shown that already small (3 x 3, 5 x 5) networks are remarkably versatile from this point of view: Working in a given network geometry, the input current can be directed to any of the output ports, simply by changing the SOI strengths by external gate voltages. Additionally, the same network with different SOI strengths can be completely analogous to the Stern-Gerlach device, exhibiting spatial-spin entanglement. |
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Corporate Author |
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Publisher |
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Place of Publication |
Washington |
Editor |
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Language |
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Wos |
000258440700077 |
Publication Date |
2008-07-22 |
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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 |
1530-6984;1530-6992; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
76 |
Open Access |
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Notes |
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Approved |
Most recent IF: 12.712; 2008 IF: 10.371 |
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Call Number |
UA @ lucian @ c:irua:102609 |
Serial |
2294 |
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Permanent link to this record |
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Author |
Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. |
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Title |
The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
16 |
Issue |
6 |
Pages |
2588-2596 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes. |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000329926700040 |
Publication Date |
2013-12-03 |
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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 |
1463-9076;1463-9084; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
47 |
Open Access |
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Notes |
Fwo; Goa; Hercules |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
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Call Number |
UA @ lucian @ c:irua:114829 |
Serial |
2525 |
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Permanent link to this record |
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Author |
Smondyrev, M.A.; Verbist, G.; Peeters, F.M.; Devreese, J.T. |
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Title |
Stability of multipolaron matter |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
47 |
Issue |
5 |
Pages |
2596-2601 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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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 |
A1993KL78900022 |
Publication Date |
2002-07-27 |
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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 |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:5745 |
Serial |
3127 |
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Permanent link to this record |