Origin of band inversion in topological Bi2Se3 S Chege, P Ning’i, J Sifuna, GO Amolo
AIP Advances 10 (9), 2020
21 2020 First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail domain walls in ferroelectric thin films J Sifuna, P García-Fernández, GS Manyali, G Amolo, J Junquera
Physical Review B 101 (17), 174114, 2020
21 2020 Low compressible β-BP3N6 GS Manyali, J Sifuna
AIP Advances 9 (12), 2019
10 2019 First principles insight into band gap tuning in bismuth based double perovskites X2NaBiCl6 (X= Cs, Rb, K) for enhanced optoelectronic and thermoelectric properties SZA Shah, S Niaz, T Nasir, J Sifuna
Results in Chemistry 5, 100828, 2023
7 2023 Computer Modeling for Science, Technology, Engineering and Mathematics Curriculum in Kenya: A Simulation-Based Approach to Science Education J Sifuna, G Manyali, T Sakwa, A Mukasia
Science Publishing group, 2016
6 2016 A DFT computational design and exploration of direct band gap silver-thallium double perovskites SZA Shah, S Niaz, T Nasir, J Sifuna, SM Ramay
Materials Science and Engineering: B 298, 116846, 2023
5 2023 Structural and Mechanical Properties of Bulk Scandium Trifluoride Investigated by First-Principles Calculations James Sifuna, George S. Manyali, Thomas Sakwa, Manasse Kitui
Journal of Multidisciplinary Engineering Science and Technology 4 (2), 6663-6668, 2017
4 2017 Compatibility of DFT+ U with non-collinear magnetism and spin-orbit coupling within a framework of numerical atomic orbitals F Gómez-Ortiz, N Carral-Sainz, J Sifuna, V Monteseguro, R Cuadrado, ...
Computer Physics Communications 286, 108684, 2023
3 2023 Unveiling the DFT perspectives on structural, elastic, optoelectronic, and thermoelectric properties of zirconate perovskites XZrO3 (X= Ca, Sr, Ba) SZA Shah, D Hussain, Z Abbas, S Niaz, A Parveen, J Sifuna, ...
Inorganic Chemistry Communications, 112304, 2024
1 2024 Eco-friendly Bismuth Based Double Perovskites X NaBiCl (X=Cs, Rb, K) for Optoelectronic and Thermoelectric Applications: A First-Principles Study SZA Shah, S Niaz, T Nasir, J Sifuna
arXiv preprint arXiv:2208.04123, 2022
1 2022 Ab initio study on Quasi-Binary Acetonitriletriide Sr [C N] J Sifuna, GS Manyali, E Wabululu, C Songa, A Otieno, S Sironik
arXiv preprint arXiv:2001.01488, 2020
1 2020 Comparison of band-fitting and Wannier-based model construction for WSe2 J Sifuna, P García-Fernández, GS Manyali, G Amolo, J Junquera
MRS Advances 5 (44), 2281-2290, 2020
1 2020 HEAD TO HEAD AND TAIL TO TAIL 180◦ DOMAIN WALLS IN PbTiO3/PbTiO3 FERROELECTRIC THIN FILMS: AN AB INITIO STUDY JS SIFUNA
2024 A DFT computational design and exploration of novel direct band gap silver-thallium double perovskites SZA Shah, S Niaz, T Nasir, J Sifuna
arXiv preprint arXiv:2204.12123, 2022
2022 Low Born effective Charges, High Covalency and Strong Optical Activity in $ X_3^{2+} $ Bi $^{3-} $ N $^{3-} $($ X $= Ca, Sr, Ba) $ inverse $-perovskites J Wakini, C Songa, S Chege, FO Saouma, E Wabululu, PW Nyawere, ...
arXiv preprint arXiv:2203.00359, 2022
2022 Quasi-two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180o domain walls in ferroelectric thin films J Sifuna, P Garcia-Fernandez, G Manyali, G Amolo, J Junquera
APS March Meeting Abstracts 2021, P55. 015, 2021
2021 Interplay of lattice distortion and bands near the Fermi level in TiO ( =Ca, Sr, Ba) P Ning'i, S Chege, J Sifuna, G Amolo
arXiv preprint arXiv:2009.02529, 2020
2020 Pressure Dependency of Elasticity in-TiZr Shape Memory Alloys JW Wafula, GS Manyali, JW Makokha, J Sifuna
KABARAK UNIVERSITY, 2019
2019 Computational methods in Materials Science studies J Sifuna, G Amolo, G Manyali
KABARAK UNIVERSITY, 2018
2018 Quantum Phase Transition: Intra and Inter-Band Interaction on D-Wave Superconductivity S Otimo, T Sakwa, YK Ayodo, J Sifuna
Science Publishing group, 2017
2017