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Characterization of iron(III) in aqueous and alkaline environments with ab initio and ReaxFF potentials

The Journal of chemical physics, 2024-02, Vol.160 (8)

2024

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ReaxFF+A New Reactive Force Field Method for the Accurate Description of Ionic Systems and Its Application to the Hydrolyzation of Aluminosilicates

Journal of physical chemistry. C, 2016-05, Vol.120 (20), p.10849-10856

2016

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In-vitro Materials Design: Modern Atomistic Simulation Methods for Engineers

1, 2015

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Charge transition levels of oxygen, lanthanum, and fluorine related defect structures in bulk hafnium dioxide (HfO2): An ab initio investigation

Journal of applied physics, 2015-06, Vol.117 (24)

2015

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k-Restoring Processes at Carbon Depleted Ultralow-k Surfaces

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-07, Vol.115 (29), p.8282-8287

2011

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The Degradation Process of High- k~/ Gate-Stacks: A Combined Experimental and First Principles Investigation

IEEE transactions on electron devices, 2014-05, Vol.61 (5), p.1278-1283

2014

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Defect generation and activation processes in HfO2 thin films: Contributions to stress-induced leakage currents

Physica status solidi. A, Applications and materials science, 2015-03, Vol.212 (3), p.547-553

2015

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Derivation of parameter sets for the ReaxFF+ method for modeling an electrochemical machining process

Procedia CIRP, 2023, Vol.117, p.231-236

2023

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Interaction of oxygen vacancies and lanthanum in Hf-based high-k dielectrics: an ab initio investigation

Journal of physics. Condensed matter, 2011-09, Vol.23 (36), p.365502-5

2011

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Defect generation and activation processes in HfO 2 thin films: Contributions to stress-induced leakage currents: Defect generation and activation processes in HfO 2 thin films

Physica status solidi. A, Applications and materials science, 2015-03, Vol.212 (3), p.547-553

2015

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Silylation of silicon bonded hydroxyl groups by silazanes and siloxanes containing an acetoxy group. N-trimethylsilylimidazole vs. dimethyldiacetoxysilane

Computational and theoretical chemistry, 2012-07, Vol.991, p.44-47

2012

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First Principle Calculation of the Leakage Current Through Si02 and SiOxNy Gate Dielectrics in MOSFETs

IEEE transactions on electron devices, 2010, Vol.57 (3), p.690-695

2010

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First Principle Calculation of the Leakage Current Through \hbox and \hbox\hbox Gate Dielectrics in MOSFETs

IEEE transactions on electron devices, 2010-03, Vol.57 (3), p.690-695

2010

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Nitrogen Engineering in the Ultrathin SiO2 Interface Layer of High- CMOS Devices: A First-Principles Investigation of Fluorine, Oxygen, and Boron Defect Migration

IEEE transactions on electron devices, 2017-12, Vol.64 (12), p.5073-5080

2017

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First Principle Calculation of the Leakage Current Through SiO 2 and SiO x N y Gate Dielectrics in MOSFETs

IEEE transactions on electron devices, 2010-03, Vol.57 (3), p.690-695

2010

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First Principle Calculation of the Leakage Current Through SiO 2 and SiO xN y Gate Dielectrics in MOSFETs

IEEE transactions on electron devices, 2010-03, Vol.57 (3), p.690-695

2010

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First Principle Calculation of the Leakage Current Through [Formula Omitted] and [Formula Omitted] Gate Dielectrics in MOSFETs

IEEE transactions on electron devices, 2010-03, Vol.57 (3), p.690

2010

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Ab initio structural and electronic properties of dangling-bond-free SiO x N y

Physical review. B, Condensed matter and materials physics, 2006-04, Vol.73 (16), Article 165213

2006

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Part III Industrial Applications

In-Vitro Materials Design, 2015

2015

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Part II Computational Methods

In-Vitro Materials Design, 2015

2015

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Part I Basic Physical and Mathematical Principles

In-Vitro Materials Design, 2015

2015

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EULA

In-Vitro Materials Design, 2015

2015

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First-principles investigation of the leakage current through strained SiO2 gate dielectrics in MOSFETs

2011 Semiconductor Conference Dresden, 2011, p.1-4

2011

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Introduction

In‐vitro Materials Design, 2015, p.1-4

2015

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Microelectronic CMOS Technology

In‐vitro Materials Design, 2015, p.121-158

2015

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Characterization of iron(III) in aqueous and alkaline environments with ab initio and ReaxFF potentials

ReaxFF+A New Reactive Force Field Method for the Accurate Description of Ionic Systems and Its Application to the Hydrolyzation of Aluminosilicates

In-vitro Materials Design: Modern Atomistic Simulation Methods for Engineers

Charge transition levels of oxygen, lanthanum, and fluorine related defect structures in bulk hafnium dioxide (HfO2): An ab initio investigation

k-Restoring Processes at Carbon Depleted Ultralow-k Surfaces

The Degradation Process of High- k~/ Gate-Stacks: A Combined Experimental and First Principles Investigation

Defect generation and activation processes in HfO2 thin films: Contributions to stress-induced leakage currents

Derivation of parameter sets for the ReaxFF+ method for modeling an electrochemical machining process

Interaction of oxygen vacancies and lanthanum in Hf-based high-k dielectrics: an ab initio investigation

Defect generation and activation processes in HfO 2 thin films: Contributions to stress-induced leakage currents: Defect generation and activation processes in HfO 2 thin films

Silylation of silicon bonded hydroxyl groups by silazanes and siloxanes containing an acetoxy group. N-trimethylsilylimidazole vs. dimethyldiacetoxysilane

First Principle Calculation of the Leakage Current Through Si02 and SiOxNy Gate Dielectrics in MOSFETs

First Principle Calculation of the Leakage Current Through \hbox and \hbox\hbox Gate Dielectrics in MOSFETs

Nitrogen Engineering in the Ultrathin SiO2 Interface Layer of High- CMOS Devices: A First-Principles Investigation of Fluorine, Oxygen, and Boron Defect Migration

First Principle Calculation of the Leakage Current Through SiO 2 and SiO x N y Gate Dielectrics in MOSFETs

First Principle Calculation of the Leakage Current Through SiO 2 and SiO xN y Gate Dielectrics in MOSFETs

First Principle Calculation of the Leakage Current Through [Formula Omitted] and [Formula Omitted] Gate Dielectrics in MOSFETs

Ab initio structural and electronic properties of dangling-bond-free SiO x N y

Part III Industrial Applications

Part II Computational Methods

Part I Basic Physical and Mathematical Principles

EULA

First-principles investigation of the leakage current through strained SiO2 gate dielectrics in MOSFETs

Introduction

Microelectronic CMOS Technology

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