Zobrazeno 1 - 10
of 352
pro vyhledávání: '"Monserrat, Bartomeu"'
We report a first principles computational analysis of two phonon-mediated superconductors, In$_{5}$Bi$_{3}$ and In$_{5}$Sb$_{3}$. We show that spin-orbit coupling leads to splitting of electron bands around the Fermi energy, resulting in a suppressi
Externí odkaz:
http://arxiv.org/abs/2410.20368
Excitons dominate the optoelectronic response of many materials. Depending on the timescale and host material, excitons can exhibit free diffusion, phonon-limited diffusion, or polaronic diffusion, and exciton transport often limits the efficiency of
Externí odkaz:
http://arxiv.org/abs/2410.00967
Autor:
Chowdhury, Rituparno, Preuss, Marco D., Cho, Hwan-Hee, Thompson, Joshua J. P., Sen, Samarpita, Baikie, Tomi, Ghosh, Pratyush, Boeije, Yorrick, Chua, Xian-Wei, Chang, Kai-Wei, Guo, Erjuan, van der Tol, Joost, Bersselaar, Bart W. L. van den, Taddeucci, Andrea, Daub, Nicolas, Dekker, Daphne M., Keene, Scott T., Vantomme, Ghislaine, Ehrler, Bruno, Meskers, Stefan C. J., Rao, Akshay, Monserrat, Bartomeu, Meijer, E. W., Friend, Richard H.
Materials with chiral electronic structures are of great interest. We report a triazatruxene, TAT, molecular semiconductor with chiral alkyl side chains that crystallises from solution to form chirally-stacked columns with a helical pitch of 6 TATs (
Externí odkaz:
http://arxiv.org/abs/2408.13905
Autor:
Zhang, Zihan, Cui, Tian, Yao, Yansun, Ma, Tianchen, Jiang, Qiwen, Jia, Haojun, Monserrat, Bartomeu, Pickard, Chris J., Duan, Defang
Behaviours of hydrogen, such as fluidity and metallicity, are crucial for our understanding of planetary interiors and the emerging field of high-temperature superconducting hydrides. These behaviours were discovered in complex phase diagrams of hydr
Externí odkaz:
http://arxiv.org/abs/2408.12297
Copper-doped lead apatite, called LK-99, was initially claimed to be a room temperature superconductor driven by flat electron bands, but was later found to be a wide gap insulator. Despite the lack of room temperature superconductivity, there is gro
Externí odkaz:
http://arxiv.org/abs/2408.05277
Excitons drive the optoelectronic properties of organic semiconductors which underpin devices including solar cells and light-emitting diodes. We demonstrate that excitons can exhibit topologically non-trivial states and identify a family of organic
Externí odkaz:
http://arxiv.org/abs/2406.11951
Understanding competing charge density wave (CDW) orders in the bilayer kagome metal ScV$_6$Sn$_6$ remains a challenge. Experimentally, upon cooling, short-range CDW order with the wave vector $\mathbf{q}_{2}=(\frac{1}{3},\frac{1}{3},\frac{1}{2})$ is
Externí odkaz:
http://arxiv.org/abs/2403.17058
Autor:
Chen, Emily Y., Monserrat, Bartomeu
We present the vibrational properties and phonon dispersion for quasi-2D hybrid organic-inorganic perovskites (BA)$_2$CsPb$_2$I$_7$, (HA)$_2$CsPb$_2$I$_7$, (BA)$_2$(MA)Pb$_2$I$_7$, and (HA)$_2$(MA)Pb$_2$I$_7$ calculated from first principles. Given t
Externí odkaz:
http://arxiv.org/abs/2401.10994
We investigate the role of temperature on the topological insulating state of metal dichalcogenide monolayers, 1T$^\prime$-MX$_2$ (M=W, Mo and X=S, Se). Using first principles calculations based on density functional theory, we consider three tempera
Externí odkaz:
http://arxiv.org/abs/2311.07473
Autor:
Peng, Bo, Lange, Gunnar F., Bennett, Daniel, Wang, Kang, Slager, Robert-Jan, Monserrat, Bartomeu
Publikováno v:
Phys. Rev. Lett. 132, 116601 (2024)
Ultrathin bismuth exhibits rich physics including strong spin-orbit coupling, ferroelectricity, nontrivial topology, and light-induced structural dynamics. We use \textit{ab initio} calculations to show that light can induce structural transitions to
Externí odkaz:
http://arxiv.org/abs/2310.16886