Ultrafast optically induced ferromagnetic/anti-ferromagnetic phase transition in GdTiO3 from first principles

G Khalsa, NA Benedek - npj Quantum Materials, 2018 - nature.com
Epitaxial strain and chemical substitution have been the workhorses of functional materials
design. These static techniques have shown immense success in controlling properties in …

Displacive phase transitions in infinite-layer nickelates from first-and second-principles calculations

Y Zhang, J Zhang, J Li, MPK Sahoo, X He, J Wang… - Physical Review B, 2023 - APS
Antiferrodistortive (AFD) motions in ABX 3 perovskites play an important role in determining,
tuning, and creating functionalities. Here, through first-principles calculations, we predict that …

Determination of the Mott-Hubbard gap in

L Bjaalie, A Verma, B Himmetoglu, A Janotti… - Physical Review B, 2015 - APS
The band gaps of rare-earth titanates are commonly reported to be 0.2–0.7 eV. These
values are based on optical reflectivity measurements, from which the onset of optical …

Possible ferrimagnetism and ferroelectricity of half-substituted rare-earth titanate: A first-principles study on Y0.5La0.5TiO3

M An, HM Zhang, YK Weng, Y Zhang, S Dong - Frontiers of Physics, 2016 - Springer
Titanates with the perovskite structure, including ferroelectrics (eg, BaTiO 3) and
ferromagnetic ones (eg, YTiO 3), are important functional materials. Recent theoretical …

[PDF][PDF] 钙钛矿超晶格的演生磁电物性

翁亚奎, 董帅 - 物理学进展, 2018 - physics.seu.edu.cn
钙钛矿过渡金属氧化物中存在诸多自由度(如晶格, 电荷, 自旋和轨道), 这些自由度之间的相互
耦合以及相互竞争会诱导出很多奇异物性, 如高温超导, 庞磁电阻效应, 多铁性等 …

Magnetic Properties of Transition Metal Oxides from First-principles

DML Gautreau - 2022 - search.proquest.com
Due to the strong coupling between the spin, lattice, and orbital degrees of freedom,
transition metal oxides exhibit a wealth of exotic phases, such as ferroelectricity …

First-principles study on half-metallic zinc-blende CrS and its (001) surface

B Xu, L Chen - Journal of Magnetism and Magnetic Materials, 2016 - Elsevier
Half-metallic magnets with complete (100%) spin polarization have attracted growing
interest due to the potential in spintronic applications. In this paper, we use the first …

Emergent magnetism and ferroelectricity in perovskite superlattices

W Ya-Kui, D Shuai - Progress in Physics - pip.nju.edu.cn
Perovskite transition-metal oxides have many degrees of freedom (eg, lattice, charge, spin,
and orbital). The couplings and competitions among these degrees of freedom can lead to …

Asymmetrical two-dimensional electron gas in superlattices consisting of insulating GdTiO3 and BaTiO3

XJ Zhang, BG Liu - Thin Solid Films, 2018 - Elsevier
Two-dimensional electron gas due to semiconductor interfaces can have high mobility and
exhibits superconductivity, magnetism, and other exotic properties that are unexpected in …

Ferroelectricity-induced asymmetrical two-dimensional electron gas in superlattices consisteing of insulating GdTiO3 and ferroelectric BaTiO3

XJ Zhang, BG Liu - arXiv preprint arXiv:1608.07140, 2016 - arxiv.org
Two-dimensional electron gas due to semiconductor interfaces can have high mobility and
exhibits superconductivity, magnetism, and other exotic properties that are unexpected in …