Zobrazeno 1 - 10
of 175
pro vyhledávání: '"Thomas Welberry"'
Autor:
Thomas Welberry, Carl Henrik Görbitz
Publikováno v:
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 75:393-405
The diffraction patterns of DL-norleucine (SR-2-aminohexanoic acid, DL-Nle) crystals may show obvious diffuse scattering, usually described as `streaking', between the Bragg peaks. This phenomenon is obviously related to the non-ideal behaviour of th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b813970cbd97e63f4834b1f854f42509
https://doi.org/10.1107/s2052520619004839
https://doi.org/10.1107/s2052520619004839
Autor:
Marek Paściak, A. M. Glazer, J. Kub, Wei Ren, Zuo-Guang Ye, Jan Fábry, Zheyi An, Miloš Kopecký, Guanjie Zhang, Hiroko Yokota, Thomas Welberry, Nan Zhang
Publikováno v:
Physical Review B. 103
Antiferroelectric perovskites form an important family of functional electric materials, which have high potential in energy storage and conversion applications. However, a full understanding of their crystal structural formation is still lacking. ${
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::091c031f9322396a906bbc27335a8167
https://doi.org/10.1103/physrevb.103.054113
https://doi.org/10.1103/physrevb.103.054113
Autor:
J. Kulda, Thomas Welberry, Lukáš Palatinus, P. Ondrejkovic, H. E. Fischer, Elena Buixaderas, Přemysl Vaněk, G. Steciuk, Jiří Hlinka, Jan Drahokoupil, Marek Paściak
Publikováno v:
Physical Review B. 99
Neutron pair distribution function analysis and first principles calculations have been employed to study short-range correlations in heavily disordered dielectric material Sr$_x$Ba$_{1-x}$Nb$_2$O$_6$ ($x=0.35, 0.5$ and 0.61). The combination of meth
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3cd5c5c951e2048d8ed9c3e060da9c79
https://doi.org/10.1103/physrevb.99.104102
https://doi.org/10.1103/physrevb.99.104102
Autor:
Thomas Welberry, Darren Goossens
Publikováno v:
IUCrJ, Vol 3, Iss 5, Pp 309-318 (2016)
Published diffuse X-ray scattering from the high-Tcsuperconductor HgBa2CuO4+δhas been reexamined with a view to developing a model that more satisfactorily accounts for the observed patterns. The present work agrees with the previous conclusion that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6c34678a3c9f7cce44b96b4c1e1af32
http://scripts.iucr.org/cgi-bin/paper?S2052252516010629
http://scripts.iucr.org/cgi-bin/paper?S2052252516010629
Publikováno v:
Phase Transitions. 89:777-784
We present results of first principles calculations for ferroelectric relaxor PbSc0.5Nb0.5O3. An ordered supercell with Sc and Nb atoms alternating in all directions (NaCl-like superstructure) has a ferroelectric ground state with R3 spacegroup. It i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9646a22fc3527a97fd756ec0ee94f610
https://doi.org/10.1080/01411594.2016.1201824
https://doi.org/10.1080/01411594.2016.1201824
Publikováno v:
IUCrJ
IUCrJ, Vol 3, Iss 1, Pp 20-31 (2016)
IUCrJ, Vol 3, Iss 1, Pp 20-31 (2016)
The ability of the pair distribution function analysis of total scattering from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) is explored by comparing it with a model established using single-crystal diffuse scatterin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77d25ade75e08fd585d2353fe07cc2cb
http://europepmc.org/articles/PMC4704076
http://europepmc.org/articles/PMC4704076
The three dimensional distribution of the X-ray diffuse scattering intensity of BaTiO$_3$ has been recorded in a synchrotron experiment and simultaneously computed using molecular dynamics simulations of a shell-model. Together these have allowed the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d59ebabb35f796fac236f8b15a8b200f
Autor:
Thomas C. Weber, Thomas Welberry
Publikováno v:
Crystallography Reviews. 22:2-78
Over the 100 years since the discovery of the diffraction of X-rays by crystals, structure determination based on the analysis of Bragg peaks has grown into a very precise, widely applicable, and definitive tool. This conventional crystallography is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5c5bb5fcea3e0b10475fa0999cc870f7
https://doi.org/10.1080/0889311x.2015.1046853
https://doi.org/10.1080/0889311x.2015.1046853
Autor:
Stefano Leoni, V. Laguta, Tetyana Ostapchuk, Marek Paściak, Aidan Heerdegen, Thomas Welberry, Jirka Hlinka
Publikováno v:
Phase Transitions. 88:273-282
This work was supported by the Czech Science Foundation (project no. 13-15110S) as well as by the Australian Research Council through its Discovery Projects program.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9b8169a0bf4a3f033d5a88b74b0c2832
https://doi.org/10.1080/01411594.2014.981266
https://doi.org/10.1080/01411594.2014.981266
Autor:
Darren Goossens, Thomas Welberry
Publikováno v:
IUCrJ, Vol 1, Iss 6, Pp 550-562 (2014)
IUCrJ
IUCrJ
This review discusses the state of the field of single-crystal diffuse scattering (SCDS), including detectors, data collection and the modelling techniques. High quality, three-dimensional volumes of SCDS data can now be collected at synchrotron ligh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c85d591deda8ac5d4fc9d24f1e54e53a
http://scripts.iucr.org/cgi-bin/paper?S205225251402065X
http://scripts.iucr.org/cgi-bin/paper?S205225251402065X