Site‐Specific Contributions to the Band Inversion in a Topological Crystalline Insulator

Koumoulis, Dimitrios; Chasapis, Thomas C.; Leung, Belinda; Taylor, Robert E.; Stoumpos, Constantinos C.; Calta, Nicholas P.; Kanatzidis, Mercouri G.; Bouchard, Louis-Serge

doi:10.1002/aelm.201500117

Cited by 12 publications

(20 citation statements)

References 45 publications

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“…In this case, the Fermi contact interaction results in a temperature‐independent frequency shift, given as

K = \frac{8 π}{3} {⟨ φ_{normals} (0)^{2} ⟩}_{E_{F}} χ_{normals}

, where the spin susceptibility is expressed as

χ_{normals} = (1 / 2) (g μ_{B})^{2} N_{s}(E_{normalF})

{⟨ φ_{s} (0)^{2} ⟩}_{E_{normalF}}

is the probability density of the s‐electrons within the nuclear volume averaged over the electrons with energies near the Fermi level and N S ( E F )

is the fraction of the s‐states at the Fermi level. Hence,

K \propto N_{normals} (E_{F})

.…”

Section: Figurementioning

confidence: 99%

“…An important probe of metallic character is the spin‐lattice relaxation rate (1/ T 1 ). The ratio

\frac{1}{T_{1} . T}

is a direct probe of the Fermi level DOS and band properties on the Fermi surface . Measurements of 1/ T 1 were performed by tuning the resonance frequency at the center of each individual peak in the saturation recovery experiment.…”

Section: Figurementioning

confidence: 99%

“…Measurements of 1/ T 1 were performed by tuning the resonance frequency at the center of each individual peak in the saturation recovery experiment. All temperature‐dependent 11 B nuclear spin‐lattice relaxation rates for each compound depended linearly on temperature (

\frac{1}{T_{1} . T}

=constant) The presence of Korringa process implies that nuclear‐spin 1/ T 1 is governed by contributions from random spin‐flip scattering events of conduction electrons. K and 1/ T 1 both confirm the metal‐rich character of all compounds, indicating that the conduction‐electron mechanism is dominant.…”

Section: Figurementioning

confidence: 99%

“…Moreover, the presence of these hybrid orbitals (s–p, p–d etc.) and their coupling strength is the driving force for robust chemical bonding and this parameter can be spatially resolved by NMR by probing each constituent element separately . A recent paper has been published by Cohen et al.…”

Section: Figurementioning

confidence: 99%

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Direct Chemical Fine‐Tuning of Electronic Properties in Sc₂Ir_6−xPd_xB

et al. 2016

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Crystal orbital Hamilton population (COHP) bonding analysis has predicted that ScPd B is the least stable compound of the entire series Sc Ir Pd B. Here, we report a systematic study of Sc Ir Pd B (x=3, 5 and 6) by means of B nuclear magnetic resonance (NMR), Knight shift (K) and nuclear spin-lattice relaxation rate (1/T ). NMR results combined with theoretical band structure calculations provide a measure of s- and non-s-character Fermi-level density of states. We present direct evidence that the enhanced s-state character of the Fermi level density of states (DOS) in ScPd B reduces the strength of the B 2p and Pd 4d hybridized states across the entire Sc Ir Pd B series. This hybridization strength relates to the opening of a deep pseudogap in the density of states of Sc IrPd B and the chemical bonding instability of ScPd B . This study is an experimental realization of a chemical fine-tuning of the electronic properties in intermetallic perovskites.

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“…In this case, the Fermi contact interaction results in a temperature‐independent frequency shift, given as

K = \frac{8 π}{3} {⟨ φ_{normals} (0)^{2} ⟩}_{E_{F}} χ_{normals}

, where the spin susceptibility is expressed as

χ_{normals} = (1 / 2) (g μ_{B})^{2} N_{s}(E_{normalF})

{⟨ φ_{s} (0)^{2} ⟩}_{E_{normalF}}

is the probability density of the s‐electrons within the nuclear volume averaged over the electrons with energies near the Fermi level and N S ( E F )

is the fraction of the s‐states at the Fermi level. Hence,

K \propto N_{normals} (E_{F})

.…”

Section: Figurementioning

confidence: 99%

“…An important probe of metallic character is the spin‐lattice relaxation rate (1/ T 1 ). The ratio

\frac{1}{T_{1} . T}

Section: Figurementioning

confidence: 99%

\frac{1}{T_{1} . T}

Section: Figurementioning

confidence: 99%

Section: Figurementioning

confidence: 99%

See 2 more Smart Citations

Direct Chemical Fine‐Tuning of Electronic Properties in Sc₂Ir_6−xPd_xB

et al. 2016

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“…Previously, NMR studies from Young et al 24 , Koumoulis et al 25 and Kobl et al 26 have also observed a power-law behavior of 1/T1T vs T in bulk topological insulators and GaAs epilayers. They have attributed it to the presence of native defects, disorder or a high amount of vacancies within the lattice that can generate charge carriers and electronic inhomogeneity 42 . In the case of Cd3As2, the obtained T1 (95 s) values are undoubtedly not representative of a metal or a semimetal.…”

Section: Resultsmentioning

confidence: 99%