Anomalous lattice thermal conductivity in rocksalt IIA–VIA compounds

SC Rakesh Roshan, N Yedukondalu… - ACS Applied Energy …, 2021 - ACS Publications
Materials with an intrinsic (ultra) low lattice thermal conductivity (k L) are critically important
for the development of efficient energy conversion devices. In the present work, we have …

Theoretical aspects of structure, electronic, optical and elastic properties of Ca (1-x) CxSe mixed alloys in binary and ternary phases

I Ahmad, Q Alam, A Ahmad, S Muhammad - Physica B: Condensed Matter, 2025 - Elsevier
The structural, optoelectronic, and elastic properties of Carbon doped Calcium Selenide
binary and ternary semiconductor alloys with the general form of Ca (1-x) C x Se, 0≤ x≤ 1 …

Temperature-dependent elastic, mechanical, thermal, and acoustic behavior in alkaline earth semiconductors

J Chauhan, D Singh, R Khenata, H Meradji… - … für Naturforschung A, 2025 - degruyter.com
This study investigates the temperature-dependent elastic, mechanical, thermal, and
acoustic features of alkaline earth semiconductors calcium monochalcogenides CaX (X= S …

Electronic Structure and Ferromagnetic Properties of Doped Calcium Sulfide CaTMxS (TM V, Cr and Co)

A Aiche, A Tadjer, HM Ahmed Mazouz, B Doumi… - Spin, 2020 - World Scientific
The electronic structure and magnetic properties of diluted Ca 1− x TM x S (TM= V, Cr and
Co) in the rocksalt structure at concentrations x= 0. 0 6 2 5, 0.125 and 0.25 were studied …

Theoretical investigation of Ca0. 75Cd0. 25X (X= S, Se), a novel ternary alloy, in light of its structural, elastic, electronic, and optical properties

MH Gous, F Chouit, H Meradji, B Boutarfa… - Computational …, 2023 - Elsevier
In the current work, using the full-potential linearized augmented plane wave (FP-LAPW)
method implemented in the Wien2k code and framed within density functional theory (DFT) …

Exploring the half-metallic behavior and spintronic potential of Cr-doped CaTe

MD El Bouzaidi, RA Laamara - Bulletin of the Chemical Society of Ethiopia, 2025 - ajol.info
The pursuit of miniaturized, high-performance electronic devices has intensified research
into novel materials with extraordinary properties. While semiconductors lead the way in …

First principles study of the structural, elastic, electronic and optical properties of the ternary alloys Ca0. 75Zn0. 25S and Ca0. 75Zn0. 25Se

B Boutarfa, MH Gous, H Meradji, A Boumaza… - Computational …, 2021 - Elsevier
In this paper we present and discus the structural, elastic, electronic and optical properties of
the new ternary alloys Ca 0.75 Zn 0.25 S and Ca 0.75 Zn 0.25 Se in NaCl (B1) structure …

[PDF][PDF] Temperature-dependent elastic, mechanical, thermal, and acoustic behavior in alkaline earth semiconductors

AK Maddheshiya - researchgate.net
This study investigates the temperaturedependent elastic, mechanical, thermal, and acoustic
features of alkaline earth semiconductors calcium monochalcogenides CaX (X= S, Se, Te) …

Ab initio study of effect of pressure on structural and elastic properties of CaX, X={O, S, Se}

I Isah, S Abdulkarim, SI Kunya - Journal for Foundations and …, 2021 - sciencefront.org
We present density function theory study of effect of pressure on structural, elastic and
electronics properties of compounds CaX (X= O, S and Se) within the generalized gradient …

[引用][C] Computational Condensed Matter

B Boutarfa, MH Gous, H Meradji, A Boumaza