Characterization of Bi2Se3:Fe epitaxial films grown by pulsed laser deposition

Pelenovich, Vasiliy O.; Xiao, Renzheng; Liu, Yong; Liu, Panke; Li, Mingkai; He, Yurong; Fu, Dejun

doi:10.1016/j.tsf.2015.01.029

Cited by 8 publications

(8 citation statements)

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“…Mössbauer spectroscopy probes the local electronic, magnetic and structural environments of 57 Fe substituents in crystalline environments. Conversion electron Mössbauer measurements were performed on Fedoped epitaxial thin films by Pelenovich et al 7 However, to establish a direct correlation between measured Mössbauer parameters and the geometric structure of Fesubstituted Bi 2 Se 3 , ab initio quantum mechanical analysis was needed. Accordingly, the present SPES calculations explain the relationship between geometric structure and Mössbauer properties of substituted Bi 2 Se 3 in the limit of low iron concentration.…”

Section: Discussionmentioning

confidence: 99%

“…As illustrated by Fig. 1(a) such crystalline distortion gives rise to energy splittings between the iron ion's 3d-electron sub-shells, namely t X 2g and e Y g where X and Y represent the electron occupations 7 (+)0.44 0.23 ±0.1 ± 0.07 a Magnetic moments in units of Bohr magneton.…”

Section: B Mössbauer Parameters Of 57 Fe Substituentsmentioning

confidence: 99%

“…Although some experimental techniques probe magnetic properties of a bulk sample, 57 Fe Mössbauer spectroscopy is a powerful technique to study local electronic, magnetic and structural properties of Fe substituents and their immediate structural environment. Fe-doped epitaxial Bi 2 Se 3 thin films and their conversion electron Mössbauer spectroscopy were reported by Pelenovich and coworkers 7 which provide raw values of the sample's iso- mer shift (δ Fe ) and quadrupole splitting (∆E Q ). The latter parameters are generally highly dependent on the Feion's immediate electronic-structural environment.…”

Section: Introductionmentioning

confidence: 99%

“…Doping with magnetic TM ions and/or their substitution for suitable counterparts in tetradymite topological insulators has been reported [7][8][9] and related samples studied by several techniques such as angle-resolved photoemission spectroscopy (ARPES), scanning tunneling microscopy (STM) and energy dispersive X-ray analysis (EDX). [10][11][12][13][14] Many studies have focused on the effects of TM doping on TI surface 3,13,15 and/or bulk states.…”

Section: Introductionmentioning

confidence: 99%

“…20,21 A fairly distorted octahedral geometry about the Fe ions was found which is necessary to reproduce measured Mössbauer parameters for Fe-doped thin films. 7 Strong Se-atom reorganization around the Fe substituents occurs whereby the former partially collapse onto the latter. Contrary to a nearly spherically symmetric spin distribution expected for Fe 3+ (S=5/2) in ionic environments, a cube-like Fe-centered spin density was found which nevertheless propagates onto neighboring Se atoms.…”

Section: Introductionmentioning

confidence: 99%

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Mössbauer parameters of Fe57 substituents in the topological insulator Bi2Se3

Rodriguez

2019

Phys. Rev. B

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57 Fe Mössbauer spectroscopy can probe several local structural, electronic and magnetic properties of Fe-containing systems. However, to establish a direct relationship between these properties and a system's geometric structure, the experimental Mössbauer parameters need to be analyzed via electronic structure calculations. Herein, structural, electronic and magnetic effects of iron substituents in the topological insulator Bi2Se3, as uniquely probed by 57 Fe Mössbauer spectroscopy, have been determined via spin-polarized electronic structure calculations. The iron ion substituents, of nominal Fe 3+ (S = 5/2) oxidation and spin state, are unequivocally shown to substitute Bi 3+ sites in epitaxial Bi2Se3 thin-films used for Mössbauer measurements. Concomitant with iron substitution, localized structural rearrangements take place whereby the longer Bi-Se bonds of the native system are replaced by significantly shorter Fe-Se counterparts in the Fe-containing system. The resulting distorted-octahedral environment about substituent iron ions gives rise to characteristic Mössbauer parameters (δFe ≈ 0.51 mm/s, ∆EQ ≈ 0.20 mm/s) which have been calculated in excellent agreement with measured values for Fe-doped Bi2Se3 thin films. Consistent with a substituent Fe 3+ ion's nominal high-spin electronic configuration (t ↑↑↑ 2g e ↑↑ g ), an Fe-centered spin density has been established which, nevertheless, extends towards neighboring Se atoms via direct Fe-Se bonding and concomitant Fe(d)-Se(p) hybridization.

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Section: Discussionmentioning

confidence: 99%

Section: B Mössbauer Parameters Of 57 Fe Substituentsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%