6 papers
Competing phases and domain structures of ferroelectric perovskites: the benefit of epitaxial (110) growth
Lan-Tien Hsu, Takeshi Nishimatsu, Anna Grünebohm
Strain and domain engineering offer powerful routes to control phase and domain stability in ferroelectric thin films. While most studies have focused on (100)-oriented growth, the…
Synthetic control over marcasite-pyrite polymorph formation in the Fe1-xCoxSe2 series
Luqman Mustafa, Susanne Kunzmann, Martin Kostka +7
Transition-metal dichalcogenides of the pyrite-marcasite family are model systems of crystal chemistry. A few of these show polymorphism. The theoretical ground state of CoSe2 is m…
Thermal stability of nano-scale ferroelectric domains by molecular dynamics modeling
Arne J. Klomp, Ruben Khachaturyan, Theophilus Wallis +2
Ultra-dense domain walls are increasingly important for many devices but their microscopic properties are so far not fully understood. Here we use molecular dynamic simulations to…
BaTiO -- SrTiO composites: a microscopic study on paraelectric cubic inclusions
Sheng-Han Teng, Chinwendu Anabaraonye, Anna Grünebohm
Composites of ferroelectric and paraelectric perovskites have attracted a lot of attention due to their application potential in energy storage as well as novel computing and memor…
Control of ferroelectric domain wall dynamics by point defects: Insights from ab initio based simulations
Sheng-Han Teng, Aris Dimou, Benjamin Udofia +3
The control of ferroelectric domain walls and their dynamics on the nanoscale becomes increasingly important for advanced nanoelectronics and novel computing schemes. One common ap…
Electric field direction dependence of the electrocaloric effect in BaTiO3
Lan-Tien Hsu, Frank Wendler, Anna Grünebohm
Single-crystalline ferroelectric (FE) perovskites show a large electrocaloric effect at electric field-induced phase transitions, promising for solid-state cooling technologies. Ho…