123 citations · 494 across the 24 of their papers we have counts for
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Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted Nb
Susanne Kunzmann, Thomas Hammerschmidt, Gabi Schierning +1
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 the…
Microscopic insights on field induced switching and domain wall motion in orthorhombic ferroelectrics
Ruben Khachaturyan, Yijing Yang, Sheng-Han Teng +3
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 study on atomic ordering in {(Ba, Sr)}TiO
Aris Dimou, Ankita Biswas, Anna Gruenebohm
\ We combine density functional theory and molecular dynamics simulations to investigate the impact of Sr concentration and atomic ordering on the structural and ferroelectric prop…