Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Aarti R. Chandra"'
Publikováno v:
Materials Today: Proceedings. 47:6504-6507
In order to get a reasonable description of the structural, electronic and optical properties of CdSiAs2 chalcopyrite semiconductor, first principle calculations have been computed by DFT implemented in WIEN2k. Lattice constant, band gap, DOS, refrac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9c53c462b54cb1c91b6b7fed390476e6
https://doi.org/10.1016/j.matpr.2021.08.189
https://doi.org/10.1016/j.matpr.2021.08.189
Publikováno v:
Materials Today: Proceedings. 29:251-257
In this work,the transport properties of as deposited Fe/Co/Al multilayer’s system and post annealing effect on magnetic propertieshave beenstudied.Average chemical composition of the as deposited multilayer structure (MLS) has been verified by ene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d79b0ce9f6e21bfcf24c6f054ae1346
https://doi.org/10.1016/j.matpr.2020.07.270
https://doi.org/10.1016/j.matpr.2020.07.270
Publikováno v:
Materials Today: Proceedings. 29:275-277
The commercially available and relatively cheap TiO2 was doped with sulphur (source of sulphur used was thiourea) by simple and effective mechanical process of ball milling and has been used as a photoanode of dye- sensitized solar cells (DSSCs).Thes
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b1b8b574b1a404024e172a9517346afb
https://doi.org/10.1016/j.matpr.2020.07.273
https://doi.org/10.1016/j.matpr.2020.07.273
Publikováno v:
Journal of Superconductivity and Novel Magnetism. 32:739-749
Investigations of the electronic structure, elastic, magnetic, and optical properties of Fe2MnZ (Z = Si, Ge, and Sn) full Heusler alloys show mechanical stability with cubic symmetry in all three alloys. They are elastically anisotropic and Fe2MnSi i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::003416c34d9e02694b076857721605f8
https://doi.org/10.1007/s10948-018-4751-3
https://doi.org/10.1007/s10948-018-4751-3
Publikováno v:
Journal of Alloys and Compounds. 748:298-304
The electronic structure, elastic, magnetic and exchange coupling properties of new equiatomic quaternary Heusler alloys CoCuMnZ (for Z = In, Sn, Sb) have been studied using the full-potential linear muffin-tin orbital method. Total energy calculatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::13a85d026c4cacf097cea50c66d80fb2
https://doi.org/10.1016/j.jallcom.2018.03.143
https://doi.org/10.1016/j.jallcom.2018.03.143
Publikováno v:
Journal of Magnetism and Magnetic Materials. 448:278-286
Electronic structure, magnetic and optical properties of Co 2 TiZ (Z = B, Al, Ga, In) Heusler alloys have been computed by density functional theory implemented in WIEN2k within generalized gradient approximation for exchange correlation functions. L
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a0f1b07a0620050ffe3c5f60f40d295f
https://doi.org/10.1016/j.jmmm.2017.06.074
https://doi.org/10.1016/j.jmmm.2017.06.074
Publikováno v:
Journal of Magnetism and Magnetic Materials. 448:75-81
Co 2 CrAl/GaAs slabs have been constructed to study the electronic structure and magnetic properties by Structeditor program implemented in WIEN2k Code. GGA and LDA parameterizations have been used for exchange correlation functions. The density of s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db1754b784722077efbe426d3263d91e
https://doi.org/10.1016/j.jmmm.2017.07.056
https://doi.org/10.1016/j.jmmm.2017.07.056
Publikováno v:
Journal of Superconductivity and Novel Magnetism. 31:2399-2409
Structural, elastic, magnetic and electronic properties of CoFeCrZ (Z = P, As, Sb) Heusler alloys in their YI-type structure have been computed by density functional theory-based WIEN2k code within generalized gradient approximation for exchange corr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7364a31afb7ccb9335e381ff2d827418
https://doi.org/10.1007/s10948-017-4460-3
https://doi.org/10.1007/s10948-017-4460-3
Publikováno v:
Journal of Materials Science. 52:6800-6811
Full-potential linearized augmented plane-wave method is used to calculate electronic structure of L21-ordered Fe2MnAl Heusler alloy within WIEN2k code. Exchange correlation is treated using generalized gradient approximation which gives the nearest
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8d8df6c12dc98222c7908d9f29403ed7
https://doi.org/10.1007/s10853-017-0918-8
https://doi.org/10.1007/s10853-017-0918-8
Publikováno v:
Bulletin of Materials Science. 42
In order to acquire a reasonable description of the structural, electronic and optical properties of the perovskite compound $$\hbox {CsPbI}_{3}$$, first principle calculations have been computed by density functional theory implemented in the WIEN2k
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c5e4f809165275a5350206af52cc0e2a
https://doi.org/10.1007/s12034-019-1954-6
https://doi.org/10.1007/s12034-019-1954-6