Orbital fluctuations in the different phases of LaVO3 and YVO3

Autor: De-Raychaudhury, M., Pavarini, E., Andersen, O. K.

Publikováno v: Phys. Rev. Lett. 99, 126402 (2007)

We investigate the importance of quantum orbital fluctuations in the orthorhombic and monoclinic phases of the Mott insulators LaVO3 and YVO3. First, we construct ab-initio material-specific t2g Hubbard models. Then, by using dynamical mean-field the

Externí odkaz: http://arxiv.org/abs/cond-mat/0702316

Quenching of magnetism in NaO 2 due to electrostatic interaction induced partial orbital ordering.

Autor: Biswas S; Department of Physics, Barasat Government College, Kolkata-700124, West Bengal, India.; Department of Physics, West Bengal State University, Kolkata-700126, West Bengal, India., De Raychaudhury M; Department of Physics, West Bengal State University, Kolkata-700126, West Bengal, India. molly.deraychaudhury@gmail.com.

Publikováno v: Journal of molecular modeling [J Mol Model] 2021 Dec 23; Vol. 28 (1), pp. 13. Date of Electronic Publication: 2021 Dec 23.

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Quantum Chemical Studies on Stability and Chemical Activities in Calcium Ion Bound Calmodulin Loops.

Autor: Sikdar S, Ghosh M, De Raychaudhury M; Department of Physics, West Bengal State University , Barasat, Kolkata 700126, India., Chakrabarti J

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2015 Nov 19; Vol. 119 (46), pp. 14652-9. Date of Electronic Publication: 2015 Nov 05.

The Ferromagnetic Character, Mechanical and Optoelectronic Attributes of Rubidium-Based Rb2NaMoX6 (X = Br, I) Double Perovskites: Spin-Polarized Computations.

Autor: Mursaleen, Inamul, Munir, Junaid, Ain, Quratul, Firdous, Faiza, Aldwayyan, Abdullah S., Asemi, Nassar N., Ghaithan, Hamid M., Ahmed, Abdullah Ahmed Ali, Qaid, Saif M. H.

Publikováno v: Journal of Inorganic & Organometallic Polymers & Materials; Dec2024, Vol. 34 Issue 12, p5817-5830, 14p