Pressure induced topological and topological crystalline insulators
Research on topological and topological crystalline insulators (TCIs) is one of the most
intense and exciting topics due to its fascinating fundamental science and potential …
intense and exciting topics due to its fascinating fundamental science and potential …
Effect of strain and many-body corrections on the band inversions and topology of bismuth
C König, JC Greer, S Fahy - Physical Review B, 2021 - APS
The electronic band structure of Bi is calculated using state of the art electronic structure
methods, including density functional theory and G 0 W 0 quasiparticle approximations. The …
methods, including density functional theory and G 0 W 0 quasiparticle approximations. The …
Ab initio study of elastic, electronic, and vibrational properties of SnTe and PbTe
Context and results The elastic, electronic, and vibrational properties of the ground state of
the rocksalt SnTe and PbTe are investigated. The deduced elastic constants, namely, shear …
the rocksalt SnTe and PbTe are investigated. The deduced elastic constants, namely, shear …
Thermostructural and Elastic Properties of PbTe and Pb0.884Cd0.116Te: A Combined Low-Temperature and High-Pressure X-ray Diffraction Study of Cd …
Rocksalt-type (Pb, Cd) Te belongs to IV–VI semiconductors exhibiting thermoelectric
properties. With the aim of understanding of the influence of Cd substitution in PbTe on …
properties. With the aim of understanding of the influence of Cd substitution in PbTe on …
Investigating the effect of temperature dependent many-body interactions on electronic structures of SnTe in the Matsubara-time domain
Recently, SnTe has gained attention due to its non-trivial topological nature and eco-friendly
thermoelectric applications. We report a detailed temperature dependent electronic structure …
thermoelectric applications. We report a detailed temperature dependent electronic structure …
DFT-1/2 method applied to 3D topological insulators
In this paper, we present results and describe the methodology of application of DFT-1/2
method for five three-dimensional topological insulators materials that have been …
method for five three-dimensional topological insulators materials that have been …
Colossal variations in the thermopower and n–p conductivity switching in topological tellurides under pressure
Under applied high pressure, the electronic, optical, structural, and other properties of
narrow-bandgap telluride semiconductors are subjected to dramatic changes. They can …
narrow-bandgap telluride semiconductors are subjected to dramatic changes. They can …
Topological phase transition and tunable surface states in YBi
A unique co-existence of extremely large magnetoresistance (XMR) and topological
characteristics in non-magnetic rare-earth monopnictides has stimulated intensive research …
characteristics in non-magnetic rare-earth monopnictides has stimulated intensive research …
Modulation of thermoelectric properties of PbTe by hydrostatic pressure and uniaxial stress
Y **ang, Y Sun, J Hu - Journal of Applied Physics, 2024 - pubs.aip.org
This paper investigates a systematic theoretical study of the lattice dynamical, electronic,
and thermoelectric transport properties of PbTe, which is subjected to hydrostatic pressure …
and thermoelectric transport properties of PbTe, which is subjected to hydrostatic pressure …
Theoretical exploration of band gap error dependency on band gap size in density functional theory Calculations: CdTe and GeTe as representative cases of two band …
Q Sun, Y Yin - Computational Materials Science, 2024 - Elsevier
This study addresses the prevalent band gap error problem in density functional theory
(DFT) with local density or generalized gradient approximation (LDA/GGA), widely …
(DFT) with local density or generalized gradient approximation (LDA/GGA), widely …