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Part B: Condensed Matter Physics

Theoretical investigations of the structural, electronic and optical properties of Hg1−xCdxTe alloys

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Pages 2466-2481 | Received 20 Feb 2015, Accepted 08 Jun 2015, Published online: 16 Jul 2015

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W. López-Pérez, P. Castro-Diago, L. Ramírez-Montes, A. González-García & R. González-Hernández. (2016) Effects of scandium composition on the structural, electronic, and thermodynamic properties of SCY1– metallic alloys. Philosophical Magazine 96:5, pages 498-510.
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Manish Debbarma, Debankita Ghosh & Surya Chattopadhyaya. (2022) First-principles calculations to investigate transformation of optically inactive zinc-blend beryllium chalcogenides to optically active semiconductor alloys through doping of Hg atom(s). Physica B: Condensed Matter 638, pages 413881.
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Manish Debbarma, Debankita Ghosh, Sayantika Chanda, Bimal Debnath & Surya Chattopadhyaya. (2022) Tuning of optoelectronic and transport properties of zinc-blend magnesium chalcogenides through doping of Hg atom(s): The mBJ-GGA+U based first-principle calculations. Computational Condensed Matter 30, pages e00650.
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Manish Debbarma, Subhendu Das, Bimal Debnath, Debankita Ghosh, Sayantika Chanda, Rahul Bhattacharjee & Surya Chattopadhyaya. (2020) Density Functional Calculations of Elastic and Thermal Properties of Zinc-Blende Mercury–Cadmium-Chalcogenide Ternary Alloys. Metals and Materials International 27:10, pages 3823-3838.
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Sayantika Chanda, Manish Debbarma, Debankita Ghosh, Bimal Debnath & Surya Chattopadhyaya. (2021) First principle calculations of structural, elastic, electronic and optical properties of cubic Cd1--Zn Hg Te triangular quaternary alloys and their compounds. Physica B: Condensed Matter 614, pages 412999.
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Yadollah Safaei Ardakani & Mahmood Moradi. (2020) Investigating the structural, electronic, adsorption and optical properties of Te-doped g-ZnO monolayer before and after adsorbing Hg0 and HgCl2, using DFT + U, TDDFT and DFT-D2 approaches. Materials Science and Engineering: B 262, pages 114710.
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Manish Debbarma, Utpal Sarkar, Bimal Debnath, Debankita Ghosh, Sayantika Chanda, Rahul Bhattacharjee & Surya Chattopadhyaya. (2018) Effects of doping of mercury atom(s) on optoelectronic properties of binary zinc chalcogenides - A first principle based theoretical investigation. Journal of Alloys and Compounds 748, pages 446-463.
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Manish Debbarma, Utpal Sarkar, Bimal Debnath, Sayantika Chanda, Debankita Ghosh, Rahul Bhattacharjee & Surya Chattopadhyaya. (2018) Influence of doping of mercury atom(s) on optoelectronic properties of binary cadmium chalcogenides - A density functional theory based investigation with different exchange-correlation functionals and including spin-orbit coupling. Current Applied Physics 18:6, pages 698-716.
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A. Laref, M. Alsagri, Z. Hussain, S. Laref, F. Tawfik & S. J. Luo. (2017) Compositional and spin–orbit control on the electronic structure and optical characteristics of ZnHgTe alloys using mBJ–GGA approach. Journal of Materials Science 52:12, pages 7039-7057.
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