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James SIFUNA
James SIFUNA
The Catholic University of Eastern Africa
Verified email at cuea.edu
Title
Cited by
Cited by
Year
Origin of band inversion in topological Bi2Se3
S Chege, P Ning’i, J Sifuna, GO Amolo
AIP Advances 10 (9), 2020
202020
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
192020
Low compressible β-BP3N6
GS Manyali, J Sifuna
AIP Advances 9 (12), 2019
102019
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
62016
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
42023
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
42023
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
42017
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
32023
Eco-friendly Bismuth Based Double Perovskites XNaBiCl (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
12022
Ab initio study on Quasi-Binary Acetonitriletriide Sr[CN]
J Sifuna, GS Manyali, E Wabululu, C Songa, A Otieno, S Sironik
arXiv preprint arXiv:2001.01488, 2020
12020
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
12020
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
Thermoelectric Properties of Zn-doped CdO
A Mukasia, GS Manyali, H Barasa, J Sifuna
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