In this study, we demonstrated experimentally and theoretically that oxygen vacancies are responsible for the charge transport in HfO$_2$. Basing on the model of phonon-assisted tunneling between traps, and assuming that the electron traps are oxygen vacancies, good quantitative agreement between the experimental and theoretical data of current-voltage characteristics were achieved. The thermal trap energy of 1.25 eV in HfO$_2$ was determined based on the charge transport experiments.
We performed density functional theory (DFT) calculations on epitaxially strained hafnia. We demonstrate the stabilization of the ferroelectric ($Pca2_{1}$) phase from the antiferroelectric ($Pbcn$) in bulk hafnia in the presence of electric field. We found that the polar ($Pca2_{1}$) phase can be efficiently stabilized with an adequate choice of film orientation. We show that for a (010)-oriented Pbcn, the ferroelectric $Pca2_{1}$ phase can be reached with a relatively small electric field ($\mid\varepsilon\mid\geq 150$ KV/m). We thus provide a simple explanation to the experimental observati…
Ferroelectric hafnia is being explored for next generation electronics due to its robust ferroelectricity in nanoscale samples and its compatibility with silicon. However, its ferroelectricity is not understood. Other ferroelectrics usually lose their ferroelectricity for nanoscopic samples and thin films, and the hafnia ground state is non-polar baddeleyite. Here we study hafnia with density functional theory (DFT) under epitaxial strain, and find that strain not only stabilizes the ferroelectric phases, but also leads to unstable modes and a downhill path in energy from the high temperature …
Magnetic properties and charge transport mechanisms in oxygen-deficient HfxZr1-xO2-y nanoparticles
Institute of Physics of the National Academy of Sciences of Ukraine（乌克兰国家科学院物理研究所）；Frantsevich Institute for Problems in Materials Science of the National Academy of Sciences of Ukraine（乌克兰国家科学院弗拉琴科材料科学问题研究所）；Institute of Physics of the Czech Academy of Sciences（捷克科学院物理研究所）；Stockholm University, Department of Chemistry（斯德哥尔摩大学化学系）；Ye. O. Paton Institute of Materials Science and Welding, National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute”（乌克兰国立技术大学“伊戈尔·西科尔斯基基辅理工学院”叶·奥·帕顿材料科学与焊接研究所）
Atomistic Origin of Photoluminescence Quenching in Colloidal MoS2 and WS2 Nanoplatelets
Eberhard Karls University of Tübingen（蒂宾根大学）；NMI Natural and Medical Sciences Institute at the University of Tübingen（蒂宾根大学国家自然和医学研究所）；Leibniz University of Hannover（汉诺威莱布尼茨大学）；University of Cambridge（剑桥大学）；University of Tübingen, Institute of Applied Physics（蒂宾根大学应用物理研究所）
Defects such as oxygen vacancy are widely considered to be critical for the performance of HfO2-based devices, and yet atomistic mechanisms underlying various exotic effects such as wake-up and fluid imprint remain elusive. Here, guided by a lattice-mode-matching criterion, we systematically study the phase transitions between different polymorphs of hafnia under the influences of neutral and positively charged oxygen vacancies by mapping out the minimum energy pathways using a first-principles-based variable-cell nudged elastic band technique. We find that the positively charged oxygen vacanc…
In this work, the threshold voltage instability of normally-off p-GaN high electron mobility transistors (HEMTs) has been investigated by monitoring the gate current density during device on-state. The origin of the gate current variations under stress has been ascribed to charge trapping occurring at the different interfaces in the metal/p-GaN/AlGaN/GaN system. In particular, depending on the stress bias level, electrons (VG < 6 V) or holes (VG > 6 V) are trapped, causing a positive or negative threshold voltage shift {DVTH, respectively. By monitoring the gate current variations at different…
