Bulk modulus and high pressure thermal expansion of TlCl and TlBr

Secco, Richard A.; Chen, Q.; Secco, E. A.; Chen, J.; Vaughan, Michael T.; Zhang, J.Z.; Chen, G.

doi:10.1016/s0038-1098(98)00258-0

Cited by 3 publications

(1 citation statement)

References 12 publications

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“…Both ac and dc conductivity measurements were made in an evacuated (''1 atm'') apparatus using a guarded two-electrode technique described in detail elsewhere (16) and in a high-pressure cubic anvil apparatus using conductivity measuring techniques previously described (15). The highpressure, -temperature crystal structure experiments were carried out in a DIA-6 cubic anvil apparatus using energy dispersive X-ray diffraction spectra collected at the superconducting wiggler beamline (X17B1) at BNL-NSLS and the experimental details are described elsewhere (18,19).…”

Section: Academic Pressmentioning

confidence: 99%

Defects and Ionic Conductivity in TlCl, TlBr, and TlI at High Pressure and Temperature

Secco

Chen

1998

Journal of Solid State Chemistry

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Section: Academic Pressmentioning

confidence: 99%

Defects and Ionic Conductivity in TlCl, TlBr, and TlI at High Pressure and Temperature

Secco

Chen

1998

Journal of Solid State Chemistry

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Lattice instabilities and phonon thermal transport in TlBr

Pandey

Lindsay

Sales

et al. 2020

Phys. Rev. Materials

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Pressure Effect on the Electronic Properties of Cerium Monochalcogenides CeX (X=S, Se, Te) Using Modified Becke-Johnson Exchange Potential and LDA+U

Amrane

Benkraouda

2014

AMR

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We present a systematic and comparative study of the electronic properties of CeX monochalcogenides, The density of state (DOS) and electronic band structure of CeX (X=S, Se, Te) have been calculated using the full-potential linearized augmented plane-wave (FP-LAPW) + local orbital (lo) method based on the density functional theory (DFT), which is implemented in WIEN2k code. The trends in the high pressure behavior of these systems are discussed. Four approximations for the exchange-correlation functional have been used, the GGA's of Perdew-Burke-Ernzherhof. (PBE08) , Engel-Vosko (EV93), a modified version of the exchange potential proposed by Becke and Johnson (MBJ), and LDA+U is used to calculate the band gaps at different pressures. All methods allow for a description of the Ce f electrons as either localized or delocalized, it is found that the underestimations of the bandgap by means of LDA-GGA and Engel-Vosko are considerably improved by using the modified Becke-Johnson (MBJ) potential for all compounds in the series, On the other hand, LDA+U, method gives good results for the lighter chalcogenides, but it fails to give good results for the heavier cerium monochalcogenides.

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Bulk modulus and high pressure thermal expansion of TlCl and TlBr

Cited by 3 publications

References 12 publications

Defects and Ionic Conductivity in TlCl, TlBr, and TlI at High Pressure and Temperature

Defects and Ionic Conductivity in TlCl, TlBr, and TlI at High Pressure and Temperature

Lattice instabilities and phonon thermal transport in TlBr

Pressure Effect on the Electronic Properties of Cerium Monochalcogenides CeX (X=S, Se, Te) Using Modified Becke-Johnson Exchange Potential and LDA+U

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