Dangling-bond defect in a-Si:H: Characterization of network and strain effects by first-principles calculation of the EPR parameters

G. Pfanner; C. Freysoldt; J. Neugebauer; F. Inam; D. Drabold; K. Jarolimek; M. Zeman

doi:10.1103/physrevb.87.125308

Dangling-bond defect in a-Si:H: Characterization of network and strain effects by first-principles calculation of the EPR parameters

Physical Review B ◽

10.1103/physrevb.87.125308 ◽

2013 ◽

Vol 87 (12) ◽

Cited By ~ 11

Author(s):

G. Pfanner ◽

C. Freysoldt ◽

J. Neugebauer ◽

F. Inam ◽

D. Drabold ◽

...

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Dangling Bond ◽

Strain Effects ◽

Epr Parameters

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Assessment of Periodic and Cluster-in-Vacuo Models for First Principles Calculation of EPR Parameters of Paramagnetic Defects in Crystals: Rh2+Defects in NaCl as Case Study

The Journal of Physical Chemistry A ◽

10.1021/jp109517g ◽

2011 ◽

Vol 115 (9) ◽

pp. 1721-1733 ◽

Cited By ~ 10

Author(s):

N. Sakhabutdinova ◽

A. Van Yperen-De Deyne ◽

E. Pauwels ◽

V. Van Speybroeck ◽

H. Vrielinck ◽

...

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Defects In Crystals ◽

Epr Parameters

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First Principles Calculation Characterization of Phase FeN0.076 Produced During Lower Plasma Nitriding of Nanocrystallized Surface Layer

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2008.873 ◽

2008 ◽

Vol 5 (8) ◽

pp. 1777-1782 ◽

Cited By ~ 5

Author(s):

M. F. Yan ◽

Y. Q. Wu ◽

R. L. Liu ◽

M. Yang

Keyword(s):

Surface Layer ◽

First Principles ◽

Plasma Nitriding ◽

First Principles Calculation ◽

Lower Plasma

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Biaxial stress and strain effects on optical and electronic aspects of B2C nanostructure: a first-principles calculation

Indian Journal of Physics ◽

10.1007/s12648-021-02272-1 ◽

2022 ◽

Author(s):

H. Alborznia ◽

S. T. Mohammadi

Keyword(s):

First Principles ◽

Biaxial Stress ◽

First Principles Calculation ◽

Stress And Strain ◽

Strain Effects

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101 Characterization of Piezoelectric Properties of Perovskitetype Crystals by First-principles Calculation

Proceedings of the 1992 Annual Meeting of JSME/MMD ◽

10.1299/jsmezairiki.2005.0_1 ◽

2005 ◽

Vol 2005 (0) ◽

pp. 1-2

Author(s):

Yasutomo UETSUJI ◽

Tomoyuki OHNISHI ◽

Ssi Ueda ◽

Eiji NAKAMACHI

Keyword(s):

First Principles ◽

Piezoelectric Properties ◽

First Principles Calculation

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Characterization of a Li4TiO4 Tritium Breeder by First-Principles Calculation and an Experimental Approach

ACS Applied Energy Materials ◽

10.1021/acsaem.0c02833 ◽

2021 ◽

Vol 4 (1) ◽

pp. 921-926

Author(s):

Juemin Yan ◽

Nanlin He ◽

Xiaojun Chen ◽

Chengjian Xiao ◽

LinJie Zhao ◽

...

Keyword(s):

First Principles ◽

Experimental Approach ◽

First Principles Calculation ◽

Tritium Breeder

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Electronic structures, spectroscopic properties, and thermodynamic characterization of alkali- and transition-metals incorporated perovskite crystals by first-principles calculation

10.3390/iocn2020-07942 ◽

2020 ◽

Author(s):

Atsushi Suzuki ◽

Takeo Oku

Keyword(s):

Transition Metals ◽

First Principles ◽

Electronic Structures ◽

Spectroscopic Properties ◽

First Principles Calculation ◽

Thermodynamic Characterization

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OS0911 Crystal Structure Analysis and Functional Characterization of Novel Biocompatible Lead-Free Piezoelectric Materials through First-Principles Calculation

The Proceedings of the Materials and Mechanics Conference ◽

10.1299/jsmemm.2011._os0911-1_ ◽

2011 ◽

Vol 2011 (0) ◽

pp. _OS0911-1_-_OS0911-2_

Author(s):

Masayoshi CHISHIRO ◽

Yasutomo UETSUJI ◽

Kazuyoshi TSUCHIYA

Keyword(s):

Crystal Structure ◽

Structure Analysis ◽

First Principles ◽

Piezoelectric Materials ◽

Functional Characterization ◽

Crystal Structure Analysis ◽

First Principles Calculation ◽

Lead Free

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Strain effects and electronic structures of narrow band P-R ferroelectrics: First principles calculation

Ferroelectrics ◽

10.1080/00150193.2019.1598177 ◽

2019 ◽

Vol 544 (1) ◽

pp. 1-10

Author(s):

Nedim Bozdag ◽

Husnu Koc ◽

Sevket Simsek ◽

Amirullah M. Mamedov ◽

Ekmel Ozbay

Keyword(s):

First Principles ◽

Electronic Structures ◽

Narrow Band ◽

First Principles Calculation ◽

Strain Effects

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PS40 Search and Functional Characterization of Lead-Free Piezoelectric Materials Through First-Principles Calculation

The Proceedings of the Materials and Mechanics Conference ◽

10.1299/jsmemm.2008._ps40-1_ ◽

2008 ◽

Vol 2008 (0) ◽

pp. _PS40-1_-_PS40-2_

Author(s):

Yasuhito FUKUTA ◽

Kazuyoshi TSUCHIYA ◽

Yasutomo UETSUJI

Keyword(s):

First Principles ◽

Piezoelectric Materials ◽

Functional Characterization ◽

First Principles Calculation ◽

Lead Free

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2815 Characterization of New Biocompatible Piezoelectric Materials by First-Principles Calculation

The proceedings of the JSME annual meeting ◽

10.1299/jsmemecjo.2007.6.0_289 ◽

2007 ◽

Vol 2007.6 (0) ◽

pp. 289-290

Author(s):

Yasutomo UETSUJI ◽

Tomoyuki OHNISHI ◽

Kazuyoshi TSUCHIYA ◽

Eiji NAKAMACHI

Keyword(s):

First Principles ◽

Piezoelectric Materials ◽

First Principles Calculation

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