First-principles study of the stability, electronic and optical properties of CdTe under hydrostatic pressure

D Liu, J Feng, M Tian, Q Li, R Sa - Chemical Physics Letters, 2021 - Elsevier
CdTe is a promising candidate material for stable and high efficiency thin-film solar cells. In
the present study, we systematically investigated the effect of hydrostatic pressure on the …

Core and Shell Contributions to the Phonon Spectra of CdTe/CdS Quantum Dots

V Dzhagan, N Mazur, O Kapush, O Selyshchev… - Nanomaterials, 2023 - mdpi.com
The parameters of the shell and interface in semiconductor core/shell nanocrystals (NCs)
are determinant for their optical properties and charge transfer but are challenging to be …

Encapsulation of cadmium telluride nanocrystals within single walled carbon nanotubes

N Kuganathan, A Chroneos - Inorganica Chimica Acta, 2019 - Elsevier
The encapsulation of crystal structures of cadmium telluride within small diameter single
walled nanotubes (SWNTs) are studied using density functional theory with a dispersion …

Model of the two well potential for Hg-atoms in the Hg1-xCdxTe alloy lattice

J Polit - Bulletin of the Polish Academy of Sciences. Technical …, 2011 - yadda.icm.edu.pl
The problem of the additional phonon modes (APM) of the far infrared spectra in the range of
100–115 cm− 1 for the Hg1− xCdxTe alloys has been discussed for the last forty years. The …

Far-infrared reflectivity as a probe of point defects in Zn-and Cd-doped HgTe

J Cebulski, EM Sheregii, J Polit, A Marcelli… - Applied Physics …, 2008 - pubs.aip.org
We present a nondestructive method for quantitative determination of the vacancy
concentration in the lattice of Hg-based semiconductor alloys with tetrahedral structure. The …

Additional and canonical phonon modes in

J Polit, EM Sheregii, J Cebulski, A Kisiel… - Physical Review B …, 2010 - APS
In this experimental work a conception of the phonon spectra of the Hg 1− x Cd x Te (x= 0.06–
0.7) solid solution is presented which explains the presence of additional lines in the region …

Reinterpretation of the Ga A s P far‐infrared spectra within the framework of the Verleur and Barker model of the alloy phonon spectra

J Cebulski, M Woźny, EM Sheregii - physica status solidi (b), 2013 - Wiley Online Library
In this research, the model of five basic structural units (tetrahedra) proposed by Verleur and
Barker [Phys. Rev. 149, 715 (1966)](VB‐model) is completed by the statistical approach …

Ab Initio Studies of Hydrogen Defects in CdTe

ZS Rak, SD Mahanti, KC Mandal - Journal of electronic materials, 2009 - Springer
Using first-principles calculations based on density functional theory, we have investigated
the nature of H defects in CdTe. The formation energy calculations indicate that the ground …

Dielectric and vibrational properties of CdTe studied by first-principles and terahertz time-domain spectroscopy

W Sun, L Li, H Cai, J Li, H Yin, Y Zhu - Physica B: Condensed Matter, 2021 - Elsevier
The optical phonon frequency and damping factor of Cadmium telluride (CdTe) have been
investigated by using both the first-principles calculation and terahertz time-domain …

Statistical model analysis of local structure of quaternary sphalerite crystals

BV Robouch, A Marcelli, MC Guidi, A Kisiel… - Low Temperature …, 2007 - pubs.aip.org
At the 2004 Ural International Winter School, we introduced the statistical strained
tetrahedron model and discussed ternary tetrahedron structured crystals. The model allows …