Zobrazeno 1 - 10
of 44 184
pro vyhledávání: '"P. JAHN"'
Autor:
Žalandauskas, Vytautas, Silkinis, Rokas, Vines, Lasse, Razinkovas, Lukas, Bathen, Marianne Etzelmüller
Understanding the optical properties of color centers in silicon carbide is essential for their use in quantum technologies, such as single-photon emission and spin-based qubits. In this work, first-principles calculations were employed using the r2S
Externí odkaz:
http://arxiv.org/abs/2412.01390
Autor:
Kam, Ronald L., Binci, Luca, Kaplan, Aaron D., Persson, Kristin A., Marzari, Nicola, Ceder, Gerbrand
The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase transformat
Externí odkaz:
http://arxiv.org/abs/2412.16816
Autor:
Adnan, Saqeeb, Hua, Zilong, Upreti, Puspa, Ma, Hao, Nosal, Erika, Zhou, Shuxiang, Regmi, Sabin, Prusnick, Timothy A, Rickert, Karl, Gofryk, Krzysztof, Mann, J Matthew, Hurley, David H, Manley, Michael E, Khafizov, Marat
Vibrational and magnetic properties of single-crystal uranium-thorium dioxide (UxTh1-xO2) with a full range of 0
Externí odkaz:
http://arxiv.org/abs/2412.05448
The silver fluoride Ag$_3$F$_5$ consists structurally of square-planar units formed by four fluoride ions coordinated to a central silver ion, which possesses a partially filled $d$-subshell and the formal valence of +5/3. In this study, we demonstra
Externí odkaz:
http://arxiv.org/abs/2411.07905
We compute from density functional theory calculations the dynamical magnetic effective charges of the Jahn-Teller ground state of KCoF$_3$ and we unexpectedly obtain the largest up-to-date values reported in real materials (close to 200$\times 10^{-
Externí odkaz:
http://arxiv.org/abs/2411.00974
This study investigates the Jahn-Teller effect and magnetic anisotropy in wurtzite Ga$_{1-x}$Mn$_x$N. We search for structural and electronic properties such as the atomic displacements, the Jahn-Teller energy gain, and the density of states. The res
Externí odkaz:
http://arxiv.org/abs/2410.22035
Autor:
Iwahara, Naoya
Publikováno v:
J. Phys. Soc. Jpn. 93, 121003 (2024)
This paper reviews recent experimental and theoretical developments of the dynamic Jahn-Teller effect-driven phenomena in heavy transition metal-based spin-orbit Mott insulators. In cubic $4d/5d$ transition metal compounds, the spin, orbital, and lat
Externí odkaz:
http://arxiv.org/abs/2410.00466
Autor:
Zivkovic, Ivica, Soh, Jian-Rui, Malanyuk, Oleg, Yadav, Ravi, Pisani, Federico, Tehrani, Aria M., Tolj, Davor, Pasztorova, Jana, Hirai, Daigorou, Wei, Yuan, Zhang, Wenliang, Galdino, Carlos, Yu, Tianlun, Ishii, Kenji, Demuer, Albin, Yazyev, Oleg V., Schmitt, Thorsten, Ronnow, Henrik M.
Publikováno v:
Nature Communications 15, 8587 (2024)
Exotic quantum phases, arising from a complex interplay of charge, spin, lattice and orbital degrees of freedom, are of immense interest to a wide research community. A well-known example of such an entangled behavior is the Jahn-Teller effect, where
Externí odkaz:
http://arxiv.org/abs/2409.01436
Autor:
Harbourne, Elodie A., Cattermull, John, Boström, Hanna L. B., Witte, Rebecca, Roth, Nikolaj, Pasta, Mauro, Keen, David A., Goodwin, Andrew L.
Jahn-Teller distortions of transition-metal coordination environments link orbital occupancies to structure. In the solid state, such distortions can be strongly correlated through the propagation of strain and/or through orbital interactions. Cooper
Externí odkaz:
http://arxiv.org/abs/2408.13169
Circularly polarized femtosecond UV laser pulse can remove a {\pi} electron from benzene in such a way that the leftover hole circulates around the cation as a persistent ring current. We investigate the time dependent strength of the current as the
Externí odkaz:
http://arxiv.org/abs/2408.07319