Zobrazeno 1 - 10
of 500
pro vyhledávání: '"Grünebohm, A."'
Autor:
Teng, Sheng-Han, Grünebohm, Anna
Functional properties of ferroelectrics and their change with time depend crucially on the defect structure. In particular, point defects and bias fields induced by defect dipoles modify the field hysteresis and play an important role in fatigue and
Externí odkaz:
http://arxiv.org/abs/2403.10467
Single-crystalline ferroelectric (FE) perovskites show a large electrocaloric effect at electric field-induced phase transitions, promising for solid-state cooling technologies. However, paraelectric-FE transition temperatures are often too high for
Externí odkaz:
http://arxiv.org/abs/2402.00777
Although Niobium is a well characterized material it still shows some anomalies that are not yet understood. Therefore we revisit its metastable phases using density functional theory. First, we systematically compare energies and ground state volume
Externí odkaz:
http://arxiv.org/abs/2310.18111
Autor:
Khachaturyan, Ruben, Yang, Yijing, Teng, Sheng-Han, Udofia, Benjamin, Stricker, Markus, Grünebohm, Anna
Surprisingly little is known about the microscopic processes that govern ferroelectric switching in orthorhombic ferroelectrics. To study microscopic switching processes we combine ab initio-based molecular dynamics simulations and data science on th
Externí odkaz:
http://arxiv.org/abs/2310.12028
\ We combine density functional theory and molecular dynamics simulations to investigate the impact of Sr concentration and atomic ordering on the structural and ferroelectric properties of (Ba, Sr)TiO$_3$. On one hand, the macroscopic structural pro
Externí odkaz:
http://arxiv.org/abs/2308.13263
We use atomistic simulations to study the interactions between two-dimensional domain walls and Sr inclusions in the prototypical ferroelectric BaTiO$_3$. Based on nudged elastic band calculations we predict that the energy barrier for domain wall mo
Externí odkaz:
http://arxiv.org/abs/2206.12603
Ultra-dense domain walls are increasingly important for many devices but their microscopic properties are so far not fully understood. In this study we combine atomistic and coarse-grained molecular dynamic simulations to study the domain wall stabil
Externí odkaz:
http://arxiv.org/abs/2206.12243
Domain Wall Acceleration by Ultrafast Field Application: An Ab Initio-Based Molecular Dynamics Study
Publikováno v:
Ruben Khachaturyan et al, Phys. Status Solidi RRL 2200038, 2022
Optimizing ferroelectrics for contemporary high-frequency applications asks for the fundamental understanding of ferroelectric switching and domain wall (DW) motion in ultrafast field pulses while the microscopic understanding of the latter is so far
Externí odkaz:
http://arxiv.org/abs/2109.10062
Autor:
Spethmann, Jonas, Grünebohm, Martin, Wiesendanger, Roland, von Bergmann, Kirsten, Kubetzka, André
Publikováno v:
Nat. Commun. 12, 3488 (2021)
We investigate magnetic domain walls in a single fcc Mn layer on Re(0001) employing spin-polarized STM, atom manipulation, and spin dynamics simulations. The low symmetry of the row-wise antiferromagnetic (1Q) state leads to a new type of domain wall
Externí odkaz:
http://arxiv.org/abs/2011.05678
Autor:
Grünebohm, Anna, Marathe, Madhura
We investigate the multi-domain structures in the tetragonal and orthorhombic phases of BaTiO$_3$ and the impact of the presence of domain walls on the intermediary phase transition. We focus on the change in the transition temperatures resulting fro
Externí odkaz:
http://arxiv.org/abs/2009.11165