Mössbauer Spectroscopy in Group-III Antimonides

Pruitt, R. A.; Marshall, Susan; O'Donnell, C. M.

doi:10.1103/physrevb.2.2383

Cited by 23 publications

(11 citation statements)

References 21 publications

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“…The calculated value for InSb is in good agreement with the experimental data of -8.6 mm/s. 23 Insertion reaction of the Li atoms with the host makes the IS steadily more negative with a sudden increase when the In is extruded from the structure. The IS for the energetically hindered compounds LiInSb and Li 2 InSb are -10.54 mm/s and -11.54 mm/s respectively.…”

Section: B Isomer Shift and Electron Localization Functionmentioning

confidence: 99%

Lithiation of InSb andCu2Sb: A theoretical investigation

2004

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In this work, the mechanism of Li insertion/intercalation in the anode materials InSb and Cu2Sb is investigated by means of the first-principles total-energy calculations. The electron localization function for the lithiated products of InSb are presented. Based on these results the change in the bonding character on lithiation is discussed. Further, the isomer shift for InSb and Cu2Sb and thier various lithiated products is reported. The average insertion/intercalation voltage and the volume expansion for transitions from InSb to Li3Sb and Cu2Sb to Li3Sb are calculated and found to be in good agreement with the experimental values. These findings help to resolve the uncertainity regarding the lithiation mechanism in InSb.

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Section: B Isomer Shift and Electron Localization Functionmentioning

confidence: 99%

Lithiation of InSb andCu2Sb: A theoretical investigation

2004

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“…For the semiconductors MSb (M = Al, Ga, In), the isomer shift decreases from AlSb (δ = −7.61(2) mm s –1 ; δ InSb = +0.99 mm s –1 ) via GaSb (δ = −8.23(1) mm s –1 ; δ InSb = +0.37 mm s –1 ) to InSb (δ = −8.54(2) mm s –1 ; δ InSb = +0.06 mm s –1 ), which is in line with earlier published data , and in the usual range for intermetallic antimonides. ,,, When looking at the referenced values, a decrease in the relative isomer shift in the 121 Sb Mössbauer spectra is visible from AlSb to InSb. According to this correlation, AlSb is the most ionic compound within this row, contradicting the trend of the electronegativity (χ(Al) = 1.61; χ(Ga) = 1.81; χ(In) = 1.78), with respect to the values of GaSb and InSb.…”

Section: Resultsmentioning

confidence: 96%

“…According to this correlation, AlSb is the most ionic compound within this row, contradicting the trend of the electronegativity (χ(Al) = 1.61; χ(Ga) = 1.81; χ(In) = 1.78), with respect to the values of GaSb and InSb. Pruitt and co-workers have evaluated the bonding situation in detail, concluding that the s-electron density remains relatively constant while the p-electron density is the predominant variable . This furthermore underlines that the electronic situation is complex, which is important to know, especially with respect to 121 Sb Mössbauer spectroscopic investigations.…”

Section: Resultsmentioning

confidence: 99%

“…For the purpose of a systematical evaluation of the recorded 121 Sb Mossbauer spectroscopic data, the isomer shifts determined in this work as well as the literature data were referenced with respect to the averaged isomer shifts of InSb (δ = −8.60 mm s −1 ) taken from the literature 6,10,11 (Table 3). A graphical representation of selected compounds is given (Figure 9).…”

Section: /115mentioning

confidence: 99%

“…Although the 121 Sb nucleus is not that widely used, ionic compounds of Sb III and Sb V especially have been studied. , Turning to intermetallic antimony compounds, the number of well-characterized phases is small. Early studies focused on the III–V semiconductors AlSb, GaSb, and InSb (sphalerite type); , some of the rare-earth (RE) monoantimonides; rare-earth–transition-metal–antimonides; − and a number of intermetallic, antimony-based battery materials. − The first systematization efforts were performed during studies of the latter materials’ class. , …”

Section: Introductionmentioning

confidence: 99%

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(Pseudo)binary Antimonides: Insights on Local Ordering and Effective Charge Configurations from ¹²¹Sb MAS NMR and Mössbauer Spectroscopies

et al. 2021

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Binary antimonides of composition MSb (M = Al, Ga, In), RESb (RE = Sc, Y, La), CdSb, RE 4 Sb 3 (RE = Sc, La), and T 5 Sb 4 (T = Nb, Ta) as well as the pseudobinary solid solutions (La 0.25 M 0.75 ) 4 Sb 3 (M = Sr, Eu) were synthesized from the elements via arc-melting or induction heating and investigated by powder Xray diffraction, magnetic susceptibility, and solid-state 121 Sb MAS NMR as well as 121 Sb and 151 Eu Mossbauer spectroscopic studies. Besides CdSb, all compounds exhibit isolated antimony atoms (i.e., no Sb−Sb bonding), which formally carry a 3-fold negative charge, and only one single crystallographic Sb site is observed. While 121 Sb Mossbauer spectroscopic measurements of all X-ray pure phases were possible, not all of these compounds showed detectable 121 Sb MAS NMR signals due to Sb located on lower symmetric positions. For the cubic phases with high symmetry, a parameter was constructed on the basis of the 121 Sb MAS NMR data to describe the ratio between antimony positions with and without perfect cubic site symmetry, showing that structural disorder is present in all electron-precise compounds of this work. Magnetic measurements of (La 0.25 Eu 0.75 ) 4 Sb 3 (≡LaEu 3 Sb 3 ) further indicate divalent europium and antiferromagnetic ordering below T N = 5.4(1) K. The valence state was confirmed by 151 Eu Mossbauer spectroscopy. Thus, the gathered 121 Sb MAS NMR and 121 Sb and 151 Eu Mossbauer data were utilized to get a systematic overview regarding the effective charge configuration in terms of the 121 Sb chemical shift, formal valence states, and isomer shifts for Sb in the different structures of the studied series of compounds.

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A mössbauer study of the hyperfine interactions in intermetallic, ferromagnetic, and ferroelectric compounds of antimony

Tumolillo

1973

Phys. Stat. Sol. (a)

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Mössbauer investigations of Sb121 nuclei in 21 antimony compounds were made at 78 and 293 °K. Using reported values for the Sb121 moments, electron densities, magnetic fields, field gradients, and asymmetry parameters were deduced. The electron densities obtained from the Mössbauer effect measurements were correlated with s‐electron populations on the Sb ion which were calculated using molecular‐orbital techniques. Some of the disadvantages of this method are discussed. Using the known value of the Debye temperature θD for the source, recoilless fractions and Debye temperatures were calculated for the abscrbers. In the binary alloys containing iron, FeSb and FeSb2, the Fe57 resonance was measured as well.

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Mössbauer Spectroscopy in Group-III Antimonides

Cited by 23 publications

References 21 publications

Lithiation of InSb andCu2Sb: A theoretical investigation

Lithiation of InSb andCu2Sb: A theoretical investigation

(Pseudo)binary Antimonides: Insights on Local Ordering and Effective Charge Configurations from ¹²¹Sb MAS NMR and Mössbauer Spectroscopies

A mössbauer study of the hyperfine interactions in intermetallic, ferromagnetic, and ferroelectric compounds of antimony

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Mössbauer Spectroscopy in Group-III Antimonides

Cited by 23 publications

References 21 publications

Lithiation of InSb andCu2Sb: A theoretical investigation

Lithiation of InSb andCu2Sb: A theoretical investigation

(Pseudo)binary Antimonides: Insights on Local Ordering and Effective Charge Configurations from 121Sb MAS NMR and Mössbauer Spectroscopies

A mössbauer study of the hyperfine interactions in intermetallic, ferromagnetic, and ferroelectric compounds of antimony

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(Pseudo)binary Antimonides: Insights on Local Ordering and Effective Charge Configurations from ¹²¹Sb MAS NMR and Mössbauer Spectroscopies