Frantsevych Institute for Problems of Materials Science of NAS of Ukraine is a leading center of scientific and technical developments in the field of theoretical foundations of new materials formation, technology for production and manufacture of products from these materials with special properties to meet the needs of nuclear energy, electronics, aircraft, general chemical, transport and agricultural engineering , direct conversion of energy into electrical, quantum electronics, instrument engineering, automation and other fields of technology. The Institute carries out fundamental research and technological developments in the fields of: powder metallurgy and composite materials; physical chemistry of inorganic compounds and solid chemistry; soldering of dissimilar materials; solid state physics; physics of high pressure phases; physicochemistry and technology of structural and functional ceramics; nanostructured materials. The institution has developed the scientific basis of advanced technologies for obtaining, processing and combining materials with a specified set of properties.
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JPEG Image - 608.1 KB - MD5: f732c8ac00cb594315e6fa39d974e2c0
graficplotpristine surfaceTIHgBr3
plot for Hg 4f electrons of the pristine surface
Plain Text - 9.8 KB - MD5: 45d770e27936d4fa3be4c401ae370955
Datapristine surfaceTIHgBr3
data for Tl/Hg 4d electrons of the pristine surface
JPEG Image - 686.8 KB - MD5: 1addda8a19acbecc0e321aedd49e34d0
graficplotpristine surfaceTIHgBr3
plot for 4f electrons of the pristine surface
Plain Text - 5.8 KB - MD5: 9dff2b5d1bbb2be4a6e86ac10584ee7f
Datapristine surfaceTIHgBr3
data for Tl/Hg 4f electrons of the pristine surface
JPEG Image - 615.1 KB - MD5: f3ea6b78f7fcf6441424861caf4dd70f
graficplotpristine surfaceTIHgBr3
plot for Tl 5d electrons of the pristine surface
Plain Text - 4.3 KB - MD5: 58cfe7b9b16ad38a5f06dbc0c9a0cb69
Datapristine surfaceTIHgBr3
valence band electron data of the pristine surface
JPEG Image - 907.0 KB - MD5: 330822b96386498731abd885e97bb083
graficplotpristine surfaceTIHgBr3
survey plot of the pristine surface
Plain Text - 11.7 KB - MD5: 7094be0f8429727f3206a84cf0791ef8
Datapristine surfaceTIHgBr3
general survey data for the pristine surface
Dec 18, 2025 - SPM&RS Centre
Sukhenko Ihor, 2025, "Data for: Correlated electronic structure and local spin in lead-copper-vanadium-bromine apatite: a DMFT study", https://doi.org/10.48788/DVUA/UTUHLT, DataverseUA, V1
This dataset contains the input files, output data, and post-processing scripts associated with the DFT+DMFT study of the copper-substituted lead–vanadium bromine apatite Pb9Cu(VO4)6Br2 (arXiv:2511.04475). It supports the analysis of correlated electronic structure, spectral prop...
Python Source Code - 2.7 KB - MD5: d982e4a261dbed957230d431b873c582
Script to produce analytically continued spectral functions.
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