Electronic aspects of formation and properties of local structures around Mn in $\mathrm{Cd_{1-x}Mn_{x}Te_{1-y}Se_{y}}$

Radisavljevic, Ivana; Bojanic, Slobodan; Kuzmanovic, Bojana; Miodrag, Mitric; Nebojsa, Romcevic; Ivanovic, Nenad; Novakovic, Nikola

doi:10.1016/j.matchemphys.2015.10.038

Journal Article

PUBDB-2015-05004

Electronic aspects of formation and properties of local structures around Mn in $\mathrm{Cd_{1-x}Mn_{x}Te_{1-y}Se_{y}}$

Radisavljevic, I. (Corresponding author)>Extern* ; Novakovic, N.>Extern* ; Nebojsa, R. ; Miodrag, M. ; Kuzmanovic, B. ; Bojanic, S. ; Ivanovic, N.>Extern*

2015
Elsevier New York, NY [u.a.]

Materials chemistry and physics 167, 236 - 245 (2015) [10.1016/j.matchemphys.2015.10.038]

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Abstract: Local electronic and structural features around Mn in Cd$_{1-x}$Mn$_{x}$Te$_{0.97}$Se$_{0.03}$ (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 forTe 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.

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