| Records |
| Author |
Wang, W.; Li, L.; Kong, X.; Van Duppen, B.; Peeters, F.M. |
| Title |
T4,4,4-graphyne : a 2D carbon allotrope with an intrinsic direct bandgap |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
293 |
Issue |
293 |
Pages |
23-27 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A novel two-dimensional (2D) structurally stable carbon allotrope is proposed using first-principles calculations, which is a promising material for water purification and for electronic devices due to its unique porous structure and electronic properties. Rectangular and hexagonal rings are connected with acetylenic linkages, forming a nanoporous structure with a pore size of 6.41 angstrom, which is known as T-4,T-4,T-4-graphyne. This 2D sheet exhibits a direct bandgap of 0.63 eV at the M point, which originates from the p(z)( )atomic orbitals of carbon atoms as confirmed by a tight-binding model. Importantly, T-4,T-4,T-4-graphyne is found to be energetically more preferable than the experimentally realized beta-graphdiyne, it is dynamically stable and can withstand temperatures up to 1500 K. |
| 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  |
000460909600005 |
Publication Date |
2019-02-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.554 |
Times cited |
10 |
Open Access |
|
| Notes |
; This work was supported by National Natural Science Foundation of China (Grant Nos. 11404214 and 11455015), the China Scholarship Council (CSC), the Science and Technology Research Foundation of Jiangxi Provincial Education Department (Grant Nos. GJJ180868 and GJJ161062) the Fonds Wetenschappelijk Onderzoek (FWO-V1), and the FLAG-ERA project TRANS2DTMD. BVD was supported by the Research Foundation – Flanders (FWO-V1) through a postdoctoral fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI. ; |
Approved |
Most recent IF: 1.554 |
| Call Number |
UA @ admin @ c:irua:158503 |
Serial |
5234 |
| Permanent link to this record |
| |
|
| |
| Author |
Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. |
| Title |
First-principles study of defects at Σ3 grain boundaries in CuGaSe2 |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
|
Issue |
|
Pages |
114263 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
| Abstract |
We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors. |
| 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 |
000652668500013 |
Publication Date |
2021-03-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 1.554 |
| Call Number |
EMAT @ emat @c:irua:176544 |
Serial |
6703 |
| Permanent link to this record |
| |
|
| |
| Author |
Chaves, A.; Peeters, F.M. |
| Title |
Tunable effective masses of magneto-excitons in two-dimensional materials |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
334 |
Issue |
|
Pages |
114371 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Excitonic properties of Ge2H2 and Sn2H2, also known as Xanes, are investigated within the effective mass model. A perpendicularly applied magnetic field induces a negative shift on the exciton center-of-mass kinetic energy that is approximately quadratic with its momentum, thus pushing down the exciton dispersion curve and flattening it. This can be interpreted as an increase in the effective mass of the magneto-exciton, tunable by the field intensity. Our results show that in low effective mass two-dimensional semiconductors, such as Xanes, the applied magnetic field allows one to tune the magneto-exciton effective mass over a wide range of values. |
| 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 |
000670329600003 |
Publication Date |
2021-05-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.554 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 1.554 |
| Call Number |
UA @ admin @ c:irua:179762 |
Serial |
7037 |
| Permanent link to this record |
| |
|
| |
| Author |
Huvé, M.; Martin, C.; Van Tendeloo, G.; Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B. |
| Title |
A mercury-based “1201-0201” intergrowth HgBa2La2Cu2O8+x: a 53K superconductor |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
90 |
Issue |
|
Pages |
37-40 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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 |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1994ND06400008 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.897 |
Times cited |
7 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:10032 |
Serial |
1994 |
| Permanent link to this record |
| |
|
| |
| Author |
Goutenoire, F.; Maignan, A.; Van Tendeloo, G.; Martin, C.; Michel, C.; Hervieu, M.; Raveau, B. |
| Title |
Substitution of mercury for thallium in the 2223 cuprate: the 130K superconductor Tl1.6Hg0.4Ba2Cu3O10-x |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
90 |
Issue |
|
Pages |
47-50 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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 |
New York, N.Y. |
Editor |
|
| Language |
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Wos |
A1994ND06400010 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.897 |
Times cited |
16 |
Open Access |
|
| Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
| Call Number |
UA @ lucian @ c:irua:10031 |
Serial |
3345 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, C.; Hervieu, M.; Van Tendeloo, G.; Goutenoire, F.; Michel, C.; Maignan, A.; Raveau, B. |
| Title |
A mercury based cuprate with the “2212” structure: Hg2-x(Cu,Pr)xBa2PrCu2O8-\delta |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
93 |
Issue |
1 |
Pages |
53-56 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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 |
New York, N.Y. |
Editor |
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| Language |
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Wos |
A1995PW08800013 |
Publication Date |
0000-00-00 |
| 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 |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.897 |
Times cited |
6 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:13761 |
Serial |
1995 |
| Permanent link to this record |
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| |
| Author |
Shanenko, A.A.; Smondyrev, M.A.; Devreese, J.T. |
| Title |
Stabilisation of bipolarons by polaron environment |
Type |
A1 Journal article |
| Year |
1996 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
98 |
Issue |
|
Pages |
1091 |
| Keywords |
A1 Journal article; 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 |
New York, N.Y. |
Editor |
|
| Language |
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Wos |
A1996UT02900012 |
Publication Date |
0000-00-00 |
| 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 |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.897 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
| Call Number |
UA @ lucian @ c:irua:16186 |
Serial |
3115 |
| Permanent link to this record |
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| |
| Author |
Farias, G.A.; Peeters, F.M. |
| Title |
Structural transitions in a finite classical two-dimensional system |
Type |
A1 Journal article |
| Year |
1996 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
100 |
Issue |
|
Pages |
711-715 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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 |
New York, N.Y. |
Editor |
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| Language |
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Wos |
A1996VU47000008 |
Publication Date |
2002-07-26 |
| 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 |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.897 |
Times cited |
25 |
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:15788 |
Serial |
3269 |
| Permanent link to this record |
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| |
| Author |
Fomin, V.M.; Misko, V.R.; Devreese, J.T.; Moshchalkov, V.V. |
| Title |
On the superconducting phase boundary for a mesoscopic square loop |
Type |
A1 Journal article |
| Year |
1997 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
101 |
Issue |
|
Pages |
303-308 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| 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 |
A1997WB80400001 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.554 |
Times cited |
39 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.554; 1997 IF: 1.323 |
| Call Number |
UA @ lucian @ c:irua:20355 |
Serial |
2456 |
| Permanent link to this record |
| |
|
| |
| Author |
De Meulenaere, P.; Mommaert, C.; Van Tendeloo, G. |
| Title |
Short-range order in phase segregation systems |
Type |
A1 Journal article |
| Year |
1997 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
102 |
Issue |
9 |
Pages |
687-690 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Spin systems on an f.c.c.-lattice which exhibit phase segregation are studied by means of Monte Carlo simulations. Short-range order, both above and below the segregation temperature, is observed. Experimental evidence for short range order in Ti-V is provided by electron diffraction. |
| 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 |
A1997WX40300011 |
Publication Date |
2003-05-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.554 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.554; 1997 IF: 1.323 |
| Call Number |
UA @ lucian @ c:irua:21429 |
Serial |
2997 |
| Permanent link to this record |
