Modeling ferroelectric film properties and size effects from tetragonal interlayer in Hf1–xZrxO2 grains

Factors Favoring Ferroelectricity in Hafnia: A First-Principles Computational Study

(2017) Rohit Batra et al.   Journal of Physical Chemistry C

Physical Mechanisms behind the Field-Cycling Behavior of HfO2 -Based Ferroelectric Capacitors

(2016) Milan Pešić et al.   ADVANCED FUNCTIONAL MATERIALS

Stabilization of metastable phases in hafnia owing to surface energy effects

(2016) Rohit Batra et al.   APPLIED PHYSICS LETTERS

Impact of mechanical stress on ferroelectricity in (Hf0.5Zr0.5)O2 thin films

(2016) Takahisa Shiraishi et al.   APPLIED PHYSICS LETTERS

Recent developments in the ABINIT software package

(2016) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

A study on the wake-up effect of ferroelectric Hf0.5Zr0.5O2films by pulse-switching measurement

(2016) Han Joon Kim et al.   Nanoscale

Structural Changes Underlying Field-Cycling Phenomena in Ferroelectric HfO2Thin Films

(2016) Everett D. Grimley et al.   Advanced Electronic Materials

Contribution of oxygen vacancies to the ferroelectric behavior of Hf0.5Zr0.5O2 thin films

(2015) Takao Shimizu et al.   APPLIED PHYSICS LETTERS

Ferroelectricity in undoped hafnium oxide

(2015) Patrick Polakowski et al.   APPLIED PHYSICS LETTERS

On the structural origins of ferroelectricity in HfO2 thin films

(2015) Xiahan Sang et al.   APPLIED PHYSICS LETTERS

The origin of ferroelectricity in Hf1−xZrxO2: A computational investigation and a surface energy model

(2015) R. Materlik et al.   JOURNAL OF APPLIED PHYSICS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Ferroelectric phase transitions in nanoscale HfO 2 films enable giant pyroelectric energy conversion and highly efficient supercapacitors

(2015) Michael Hoffmann et al.   Nano Energy

The effects of crystallographic orientation and strain of thin Hf0.5Zr0.5O2 film on its ferroelectricity

(2014) Min Hyuk Park et al.   APPLIED PHYSICS LETTERS

Grain size engineering for ferroelectric Hf0.5Zr0.5O2 films by an insertion of Al2O3 interlayer

(2014) Han Joon Kim et al.   APPLIED PHYSICS LETTERS

Antiferroelectricity in thin-filmZrO2from first principles

(2014) Sebastian E. Reyes-Lillo et al.   PHYSICAL REVIEW B

Pathways towards ferroelectricity in hafnia

(2014) Tran Doan Huan et al.   PHYSICAL REVIEW B

Evolution of phases and ferroelectric properties of thin Hf0.5Zr0.5O2 films according to the thickness and annealing temperature

(2013) Min Hyuk Park et al.   APPLIED PHYSICS LETTERS

Pseudopotentials for high-throughput DFT calculations

(2013) Kevin F. Garrity et al.   COMPUTATIONAL MATERIALS SCIENCE

Ferroelectricity in Simple Binary ZrO2 and HfO2

(2012) Johannes Müller et al.   NANO LETTERS

Ferroelectricity in hafnium oxide thin films

(2011) T. S. Böscke et al.   APPLIED PHYSICS LETTERS

Hafnia: Energetics of thin films and nanoparticles

(2010) Wei Zhou et al.   JOURNAL OF APPLIED PHYSICS

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

Germanium-induced stabilization of a very high-k zirconia phase in ZrO2/GeO2 gate stacks

(2008) P. Tsipas et al.   APPLIED PHYSICS LETTERS

Stabilization of the high-k tetragonal phase in HfO2: The influence of dopants and temperature from ab initio simulations

(2008) Dominik Fischer et al.   JOURNAL OF APPLIED PHYSICS

Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure

(2007) Marc Torrent et al.   COMPUTATIONAL MATERIALS SCIENCE