Novel high-κ dielectrics for next-generation electronic devices screened by automated ab initio calculations

GWcalculations on post-transition-metal oxides

(2014) Youngho Kang et al.   PHYSICAL REVIEW B

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Identification and design principles of low hole effective mass p-type transparent conducting oxides

(2013) Geoffroy Hautier et al.   Nature Communications

Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms

(2013) Koji Fujimura et al.   Advanced Energy Materials

Accelerating materials property predictions using machine learning

(2013) Ghanshyam Pilania et al.   Scientific Reports

Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations

(2012) Joseph W. Bennett et al.   JOURNAL OF SOLID STATE CHEMISTRY

Epitaxial ALD BeO: Efficient Oxygen Diffusion Barrier for EOT Scaling and Reliability Improvement

(2011) Jung Hwan Yum et al.   IEEE TRANSACTIONS ON ELECTRON DEVICES

High-pressure lattice dynamics and thermodynamics in BaO

(2011) I. Lukačević   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Density-based mixing parameter for hybrid functionals

(2011) Miguel A. L. Marques et al.   PHYSICAL REVIEW B

Capacitors with an Equivalent Oxide Thickness of

(2010) Seong Keun Kim et al.   ADVANCED FUNCTIONAL MATERIALS

High-throughput electronic band structure calculations: Challenges and tools

(2010) Wahyu Setyawan et al.   COMPUTATIONAL MATERIALS SCIENCE

Influence of exchange-correlation functionals on dielectric properties of rutile TiO2

(2010) Bora Lee et al.   CURRENT APPLIED PHYSICS

Atomic Layer Deposition of Gd-Doped HfO[sub 2] Thin Films

(2010) C. Adelmann et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

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

Electronic and optical properties under pressure effect of alkali metal oxides

(2008) M. Moakafi et al.   EUROPEAN PHYSICAL JOURNAL B

First-principles study on doping and phase stability ofHfO2

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