Al-, Y-, and La-doping effects favoring intrinsic and field induced ferroelectricity in HfO2: A first principles study

Lanthanum-Doped Hafnium Oxide: A Robust Ferroelectric Material

(2018) Uwe Schroeder et al.   INORGANIC CHEMISTRY

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

(2017) Christopher Künneth et al.   JOURNAL OF APPLIED PHYSICS

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

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

An extensive study of the influence of dopants on the ferroelectric properties of HfO2

(2017) S. Starschich et al.   Journal of Materials Chemistry C

A comprehensive study on the structural evolution of HfO2 thin films doped with various dopants

(2017) M. H. Park et al.   Journal of Materials Chemistry C

Si Doped Hafnium Oxide-A “Fragile” Ferroelectric System

(2017) Claudia Richter et al.   Advanced Electronic Materials

Domain Pinning: Comparison of Hafnia and PZT Based Ferroelectrics

(2017) Franz P. G. Fengler et al.   Advanced Electronic Materials

Understanding the formation of the metastable ferroelectric phase in hafnia–zirconia solid solution thin films

(2017) Min Hyuk Park et al.   Nanoscale

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

Ferroelectric properties of full plasma-enhanced ALD TiN/La:HfO2/TiN stacks

(2016) A. G. Chernikova et al.   APPLIED PHYSICS LETTERS

Recent developments in the ABINIT software package

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

The atomistic structure of yttria stabilised zirconia at 6.7 mol%: an ab initio study

(2016) Michael A. Parkes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The demonstration of significant ferroelectricity in epitaxial Y-doped HfO2 film

(2016) Takao Shimizu et al.   Scientific Reports

Ferroelectricity and Antiferroelectricity of Doped Thin HfO2-Based Films

(2015) Min Hyuk Park et al.   ADVANCED MATERIALS

Study on the size effect in Hf0.5Zr0.5O2 films thinner than 8 nm before and after wake-up field cycling

(2015) Min Hyuk Park 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

Chemical Descriptors of Yttria-Stabilized Zirconia at Low Defect Concentration: An ab Initio Study

(2015) Michael A. Parkes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Chemical Solution Deposition of Ferroelectric Hafnium Oxide for Future Lead Free Ferroelectric Devices

(2015) Sergej Starschich et al.   ECS Journal of Solid State Science and Technology

The effects of layering in ferroelectric Si-doped HfO2 thin films

(2014) Patrick D. Lomenzo 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

Impact of different dopants on the switching properties of ferroelectric hafniumoxide

(2014) Uwe Schroeder et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Interplay between gadolinium dopants and oxygen vacancies in HfO2: A density functional theory plus Hubbard U investigation

(2014) Wei Zhang et al.   JOURNAL OF APPLIED PHYSICS

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

Effect of forming gas annealing on the ferroelectric properties of Hf0.5Zr0.5O2 thin films with and without Pt electrodes

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

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

Film properties of low temperature HfO2 grown with H2O, O3, or remote O2-plasma

(2013) Claudia Richter et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

Incipient Ferroelectricity in Al-Doped HfO2 Thin Films

(2012) Stefan Mueller et al.   ADVANCED FUNCTIONAL MATERIALS

Co-sputtering yttrium into hafnium oxide thin films to produce ferroelectric properties

(2012) T. Olsen et al.   APPLIED PHYSICS LETTERS

Ferroelectricity in Simple Binary ZrO2 and HfO2

(2012) Johannes Müller et al.   NANO LETTERS

Ferroelectricity in Gd-Doped HfO2Thin Films

(2012) S. Mueller et al.   ECS Journal of Solid State Science and Technology

Ferroelectricity in hafnium oxide thin films

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

Ferroelectricity in yttrium-doped hafnium oxide

(2011) J. Müller et al.   JOURNAL OF APPLIED PHYSICS

Interaction of oxygen vacancies and lanthanum in Hf-based high-kdielectrics: anab initioinvestigation

(2011) Ebrahim Nadimi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2

(2011) J.L. Lyons et al.   MICROELECTRONIC ENGINEERING

Point defect chemistry in amorphousHfO2: Density functional theory calculations

(2010) C. Tang et al.   PHYSICAL REVIEW B

Effects of barium incorporation into HfO2 gate dielectrics on reduction in charged defects: First-principles study

(2009) Naoto Umezawa   APPLIED PHYSICS LETTERS

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

Energetics and electronic structure of aluminum point defects in HfO2: A first-principles study

(2009) Z. F. Hou et al.   JOURNAL OF APPLIED PHYSICS

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

First-principles study on doping and phase stability ofHfO2

(2008) Choong-Ki Lee et al.   PHYSICAL REVIEW B

Ab initioprediction of ordered ground-state structures inZrO2-Y2O3

(2008) A. Predith et al.   PHYSICAL REVIEW B

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