Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey
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2015
Authors
Radisavljević, IvanaNovaković, Nikola
Romčević, Nebojša Ž.
Mitrić, Miodrag
Kuzmanović, Bojana
Bojanić, Slobodan
Ivanović, Nenad
Article (Published version)
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Local electronic and structural features around Mn in Cd1-xMnxTe0.97Se0.03 (x = 0.02; 0.05; 0.1; y = 0.03) were studied by means of X-ray Absorption Fine Structure (XAFS) techniques. Manganese ions with an average valence 2+, are found to be well incorporated into the host CdTe lattice, with clear preference for Te atoms as the first neighbors. However, Mn and Te are found to form two essentially different types of bonds, one short, strong and directional (cubic MnTe-alike bond), and three much longer, predominantly ionic in nature (hexagonal MnTe-alike bonds), thereby distorting the tetrahedral coordination around Mn. The origin of peculiar Mn Te bonds distribution and details of their nature and strength are further elaborated by employing the first principle electronic structure calculations. That way a thorough insight in impact of the Mn Te bond length variation on the electronic structure of the compound is obtained. The relations established between the local structures and elec...tronic properties offer a reliable procedure for detailed analysis of the structural and electronic consequences of the 3d-transition metals (TM) incorporation in II-VI semiconductor host. Clear distinction between various influences makes the procedure easily adoptable also to the studies of TM impurities in other semiconductors. (C) 2015 Elsevier B.V. All rights reserved.
Keywords:
Semiconductors / XAFS / ab initio calculations / Electronic structureSource:
Materials Chemistry and Physics, 2015, 167, 236-245Publisher:
- Elsevier
Funding / projects:
- Optoelectronics nanodimension systems - the rout towards applications (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45003)
- ELISA - European Light Sources Activities - Synchrotrons and Free Electron Lasers (EU-FP7-226716)
- HASYLAB ' DESY [I-20100379 EC]
DOI: 10.1016/j.matchemphys.2015.10.038
ISSN: 0254-0584; 1879-3312
WoS: 000366070500033
Scopus: 2-s2.0-84959870256
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Institution/Community
VinčaTY - JOUR AU - Radisavljević, Ivana AU - Novaković, Nikola AU - Romčević, Nebojša Ž. AU - Mitrić, Miodrag AU - Kuzmanović, Bojana AU - Bojanić, Slobodan AU - Ivanović, Nenad PY - 2015 UR - https://vinar.vin.bg.ac.rs/handle/123456789/840 AB - Local electronic and structural features around Mn in Cd1-xMnxTe0.97Se0.03 (x = 0.02; 0.05; 0.1; y = 0.03) were studied by means of X-ray Absorption Fine Structure (XAFS) techniques. Manganese ions with an average valence 2+, are found to be well incorporated into the host CdTe lattice, with clear preference for Te atoms as the first neighbors. However, Mn and Te are found to form two essentially different types of bonds, one short, strong and directional (cubic MnTe-alike bond), and three much longer, predominantly ionic in nature (hexagonal MnTe-alike bonds), thereby distorting the tetrahedral coordination around Mn. The origin of peculiar Mn Te bonds distribution and details of their nature and strength are further elaborated by employing the first principle electronic structure calculations. That way a thorough insight in impact of the Mn Te bond length variation on the electronic structure of the compound is obtained. The relations established between the local structures and electronic properties offer a reliable procedure for detailed analysis of the structural and electronic consequences of the 3d-transition metals (TM) incorporation in II-VI semiconductor host. Clear distinction between various influences makes the procedure easily adoptable also to the studies of TM impurities in other semiconductors. (C) 2015 Elsevier B.V. All rights reserved. PB - Elsevier T2 - Materials Chemistry and Physics T1 - Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey VL - 167 SP - 236 EP - 245 DO - 10.1016/j.matchemphys.2015.10.038 ER -
@article{ author = "Radisavljević, Ivana and Novaković, Nikola and Romčević, Nebojša Ž. and Mitrić, Miodrag and Kuzmanović, Bojana and Bojanić, Slobodan and Ivanović, Nenad", year = "2015", abstract = "Local electronic and structural features around Mn in Cd1-xMnxTe0.97Se0.03 (x = 0.02; 0.05; 0.1; y = 0.03) were studied by means of X-ray Absorption Fine Structure (XAFS) techniques. Manganese ions with an average valence 2+, are found to be well incorporated into the host CdTe lattice, with clear preference for Te atoms as the first neighbors. However, Mn and Te are found to form two essentially different types of bonds, one short, strong and directional (cubic MnTe-alike bond), and three much longer, predominantly ionic in nature (hexagonal MnTe-alike bonds), thereby distorting the tetrahedral coordination around Mn. The origin of peculiar Mn Te bonds distribution and details of their nature and strength are further elaborated by employing the first principle electronic structure calculations. That way a thorough insight in impact of the Mn Te bond length variation on the electronic structure of the compound is obtained. The relations established between the local structures and electronic properties offer a reliable procedure for detailed analysis of the structural and electronic consequences of the 3d-transition metals (TM) incorporation in II-VI semiconductor host. Clear distinction between various influences makes the procedure easily adoptable also to the studies of TM impurities in other semiconductors. (C) 2015 Elsevier B.V. All rights reserved.", publisher = "Elsevier", journal = "Materials Chemistry and Physics", title = "Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey", volume = "167", pages = "236-245", doi = "10.1016/j.matchemphys.2015.10.038" }
Radisavljević, I., Novaković, N., Romčević, N. Ž., Mitrić, M., Kuzmanović, B., Bojanić, S.,& Ivanović, N.. (2015). Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey. in Materials Chemistry and Physics Elsevier., 167, 236-245. https://doi.org/10.1016/j.matchemphys.2015.10.038
Radisavljević I, Novaković N, Romčević NŽ, Mitrić M, Kuzmanović B, Bojanić S, Ivanović N. Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey. in Materials Chemistry and Physics. 2015;167:236-245. doi:10.1016/j.matchemphys.2015.10.038 .
Radisavljević, Ivana, Novaković, Nikola, Romčević, Nebojša Ž., Mitrić, Miodrag, Kuzmanović, Bojana, Bojanić, Slobodan, Ivanović, Nenad, "Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey" in Materials Chemistry and Physics, 167 (2015):236-245, https://doi.org/10.1016/j.matchemphys.2015.10.038 . .