Zobrazeno 1 - 10
of 80
pro vyhledávání: '"Foyevtsova, Kateryna"'
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density functional
Externí odkaz:
http://arxiv.org/abs/2405.02519
Oxide based electrides are materials in which topotactic removal of loosely bound oxygens leaves behind voids with a landscape of attractive potentials for electrons. We find that this is also what happens in the recently discovered infinite-layer ni
Externí odkaz:
http://arxiv.org/abs/2208.14556
Autor:
Oudah, Mohamed, Kim, Minu, Rabinovich, Ksenia S., Foyevtsova, Kateryna, McNally, Graham, Kilic, Berkay, Küster, Kathrin, Green, Robert, Boris, Alexander V., Sawatzky, George, Schnyder, Andreas P., Bonn, D. A., Keimer, Bernhard, Takagi, Hidenori
Publikováno v:
Phys. Rev. Materials 5, 064202 (2021)
We present a comprehensive study on the silver bismuthate Ag$_2$BiO$_3$, synthesized under high-pressure high-temperature conditions, which has been the subject of recent theoretical work on topologically complex electronic states. We present X-ray p
Externí odkaz:
http://arxiv.org/abs/2106.09075
Publikováno v:
Phys. Rev. B 100, 165104 (2019)
Understanding microscopic properties of LiNiO$_2$, a Li-ion battery cathode material with extraordinarily high reversible capacity, has remained a challenge for decades. Based on extensive electronic structure calculations, which reveal a large numbe
Externí odkaz:
http://arxiv.org/abs/2104.08316
Autor:
Benam, Mohammad Reza, Foyevtsova, Kateryna, Khazraie, Arash, Elfimov, Ilya, Sawatzky, George A.
We use density functional theory methods to study the electronic structures of a series of $s-p$ cubic perovskites $ABX_{3}$: the experimentally available SrBiO$_{3}$, BaBiO$_{3}$, BaSbO$_3$, CsTlF$_{3}$, and CsTlCl$_{3}$, as well as the hypothetical
Externí odkaz:
http://arxiv.org/abs/2104.07771
Autor:
Li, Fengmiao, Davidson, Bruce A., Sutarto, Ronny, Shin, Hyungki, Liu, Chong, Elfimov, Ilya, Foyevtsova, Kateryna, He, Feizhou, Sawatzky, George A., Zou, Ke
Publikováno v:
Phys. Rev. Materials 3, 100802(R), (2019)
Hole-doped perovskite bismuthates such as Ba$_{1-x}$K$_x$BiO$_3$ and Sr$_{1-x}$K$_x$BiO$_3$ are well-known bismuth-based oxide high-transition-temperature superconductors. Reported thin bismuthate films show relatively low quality, likely due to thei
Externí odkaz:
http://arxiv.org/abs/1910.02619
Autor:
Karner, Victoria L., Chatzichristos, Aris, Cortie, David L., Dehn, Martin H., Foyevtsov, Oleksandr, Foyevtsova, Kateryna, Fujimoto, Derek, Kiefl, Robert F., Levy, C. D. Philip, Li, Ruohong, McFadden, Ryan M. L., Morris, Gerald D., Pearson, Matthew R., Stachura, Monika, Ticknor, John O., Cristiani, Georg, Logvenov, Gennady, Wrobel, Friedrike, Keimer, Bernhard, Zhang, Junjie, Mitchell, John F., MacFarlane, W. Andrew
Publikováno v:
Phys. Rev. B 100, 165109 (2019)
We report $\beta$-detected NMR of ion-implanted $^{8}$Li in a single crystal and thin film of the strongly correlated metal LaNiO$_{3}$. In both samples, spin-lattice relaxation measurements reveal two distinct local metallic environments, as is evid
Externí odkaz:
http://arxiv.org/abs/1906.07878
Publikováno v:
Phys. Rev. B 98, 205104 (2018)
We develop a theory describing a parameter based phase diagram to be associated with materials incorporating skipped valence ions\cite{Varma}. We use a recently developed tight-binding approach for the bismuthates to study the phase diagram exhibitin
Externí odkaz:
http://arxiv.org/abs/1807.07168
Publikováno v:
Phys. Rev. B 97, 075103 (2018)
Motivated by the recently renewed interest in the superconducting bismuth perovskites, we investigate the electronic structure of the parent compounds ABiO$_{3}$ (A= Sr, Ba) using $ab$ $initio$ methods and tight-binding (TB) modeling. We use the dens
Externí odkaz:
http://arxiv.org/abs/1802.00034
Publikováno v:
Nature Communications 8, 686 (2017)
We determine the motion of a charge (hole or electron) added to the Mott insulating, antiferromagnetic (AF) ground-state of quasi-2D iridates such as Ba 2 IrO 4 or Sr 2 IrO 4 . We show that correlation effects, calculated within the self-consistent B
Externí odkaz:
http://arxiv.org/abs/1705.04571