Unexpectedly large energy variations from dopant interactions in ferroelectric HfO2 from high-throughput ab initio calculations

Nanoscopic studies of domain structure dynamics in ferroelectric La:HfO2 capacitors

(2018) P. Buragohain et al.   APPLIED PHYSICS LETTERS

Lanthanum-Doped Hafnium Oxide: A Robust Ferroelectric Material

(2018) Uwe Schroeder et al.   INORGANIC CHEMISTRY

Doped ZrO2 for future lead free piezoelectric devices

(2018) S. Starschich et al.   JOURNAL OF APPLIED PHYSICS

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

(2018) Robin Materlik et al.   JOURNAL OF APPLIED PHYSICS

Ferroelectric hafnium oxide for ferroelectric random-access memories and ferroelectric field-effect transistors

(2018) Thomas Mikolajick et al.   MRS BULLETIN

The relation of local order to material properties in relaxor ferroelectrics

(2018) M. J. Krogstad et al.   NATURE MATERIALS

Atomic Structure of Domain and Interphase Boundaries in Ferroelectric HfO2

(2018) Everett D. Grimley et al.   Advanced Materials Interfaces

Origin of Temperature-Dependent Ferroelectricity in Si-Doped HfO2

(2018) Min Hyuk Park et al.   Advanced Electronic Materials

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

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

Kinetic pathway of the ferroelectric phase formation in doped HfO2 films

(2017) Lun Xu 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

Optimizing process conditions for improved Hf 1−x Zr x O 2 ferroelectric capacitor performance

(2017) Terence Mittmann et al.   MICROELECTRONIC ENGINEERING

Prediction of new metastable $$\hbox {HfO}_{2}$$ HfO 2 phases: toward understanding ferro- and antiferroelectric films

(2017) S. V. Barabash   Journal of Computational Electronics

A computational study of hafnia-based ferroelectric memories: from ab initio via physical modeling to circuit models of ferroelectric device

(2017) Milan Pešić et al.   Journal of Computational Electronics

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

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

Si Doped Hafnium Oxide-A “Fragile” Ferroelectric System

(2017) Claudia Richter et al.   Advanced Electronic Materials

Revealing and exploiting hierarchical material structure through complex atomic networks

(2017) Sebastian E. Ahnert et al.   npj Computational Materials

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

(2016) Milan Pešić et al.   ADVANCED FUNCTIONAL MATERIALS

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

Reconciling Local Structure Disorder and the Relaxor State in (Bi1/2Na1/2)TiO3-BaTiO3

(2016) Pedro B. Groszewicz et al.   Scientific Reports

Ferroelectricity and Antiferroelectricity of Doped Thin HfO2-Based Films

(2015) Min Hyuk Park et al.   ADVANCED MATERIALS

Hetero-epitaxial BiFeO3/SrTiO3 nanolaminates with higher piezoresponse performance over stoichiometric BiFeO3 films

(2015) Geunhee Lee 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

High-K materials and metal gates for CMOS applications

(2015) John Robertson et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

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

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 layering in ferroelectric Si-doped HfO2 thin films

(2014) Patrick D. Lomenzo et al.   APPLIED PHYSICS LETTERS

Mesoscale Domains and Nature of the Relaxor State by Piezoresponse Force Microscopy

(2013) V.V. Shvartsman et al.   Annual Review of Materials Research

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

A review on hybrid nanolaminate materials synthesized by deposition techniques for energy storage applications

(2013) Jalal Azadmanjiri et al.   Journal of Materials Chemistry A

Recent progress in ab initio simulations of hafnia-based gate stacks

(2012) H. Zhu et al.   JOURNAL OF 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

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

The effect of dopants on the dielectric constant of HfO[sub 2] and ZrO[sub 2] from first principles

(2008) Dominik Fischer 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

Phase instability induced by polar nanoregions in a relaxor ferroelectric system

(2008) Guangyong Xu et al.   NATURE MATERIALS

Ab initioprediction of ordered ground-state structures inZrO2-Y2O3

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