First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2

Physical Review B ◽

10.1103/physrevb.84.132105 ◽

2011 ◽

Vol 84 (13) ◽

Author(s):

A. Grünebohm ◽

C. Ederer ◽

P. Entel

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

Rutile Tio2 ◽

First Principles Study

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Reply to “Comment on ‘First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2’ ”

Physical Review B ◽

10.1103/physrevb.88.136102 ◽

2013 ◽

Vol 88 (13) ◽

Author(s):

A. Grünebohm ◽

C. Ederer ◽

P. Entel

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

Rutile Tio2 ◽

First Principles Study

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Comment on “First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2”

Physical Review B ◽

10.1103/physrevb.88.136101 ◽

2013 ◽

Vol 88 (13) ◽

Author(s):

Keith Refson ◽

Barbara Montanari ◽

Pavlin D. Mitev ◽

Kersti Hermansson ◽

Nicholas M. Harrison

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

Rutile Tio2 ◽

First Principles Study

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Electronic properties of rutile TiO2 doped with 4d transition metals: First-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2012.09.077 ◽

2013 ◽

Vol 551 ◽

pp. 118-124 ◽

Author(s):

Kenan Song ◽

Xiaoping Han ◽

Guosheng Shao

Keyword(s):

Transition Metals ◽

Electronic Properties ◽

First Principles ◽

Rutile Tio2 ◽

First Principles Study

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Single Ru Sites-Embedded Rutile TiO2 Catalyst for Non-Oxidative Direct Conversion of Methane: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b01638 ◽

2019 ◽

Vol 123 (23) ◽

pp. 14391-14397 ◽

Author(s):

Xiufang Ma ◽

Keju Sun ◽

Jin-Xun Liu ◽

Wei-Xue Li ◽

Xingmin Cai ◽

...

Keyword(s):

First Principles ◽

Direct Conversion ◽

Rutile Tio2 ◽

Tio2 Catalyst ◽

First Principles Study ◽

Conversion Of Methane

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First principles study of electronic structure, magnetism and ferroelectric properties of rhombohedral AgFeO2

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2019.165296 ◽

2019 ◽

Vol 487 ◽

pp. 165296 ◽

Author(s):

Jayita Chakraborty ◽

Indra Dasgupta

Keyword(s):

Electronic Structure ◽

First Principles ◽

Ferroelectric Properties ◽

First Principles Study

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Pressure–temperature dependence of thermodynamic properties of rutile (TiO2): A first-principles study

Pramana ◽

10.1007/s12043-015-0966-z ◽

2015 ◽

Vol 86 (1) ◽

pp. 117-126 ◽

Author(s):

HALEH KANGARLOU ◽

ARASH ABDOLLAHI

Keyword(s):

Thermodynamic Properties ◽

Temperature Dependence ◽

First Principles ◽

Rutile Tio2 ◽

First Principles Study

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First-principles study of native defects in rutile TiO2

Physics Letters A ◽

10.1016/j.physleta.2007.10.011 ◽

2008 ◽

Vol 372 (9) ◽

pp. 1527-1530 ◽

Author(s):

Haowei Peng

Keyword(s):

First Principles ◽

Rutile Tio2 ◽

Native Defects ◽

First Principles Study

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First-principles study on electronic, magnetic properties and optical absorption of vanadium doped rutile TiO2

Physics Letters A ◽

10.1016/j.physleta.2020.126637 ◽

2020 ◽

Vol 384 (26) ◽

pp. 126637 ◽

Author(s):

H.X. Zhu ◽

X.H. Wang ◽

D.F. Zhou ◽

H. Jiang ◽

X.M. Liu

Keyword(s):

Magnetic Properties ◽

Optical Absorption ◽

First Principles ◽

Rutile Tio2 ◽

First Principles Study

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First-principles study of the structural, electronic, magnetic, and ferroelectric properties of a charge-ordered iron(ii)-iron(iii) formate framework

The Journal of Chemical Physics ◽

10.1063/1.5116343 ◽

2019 ◽

Vol 151 (12) ◽

pp. 124704 ◽

Author(s):

Gang Tang ◽

Wei Ren ◽

Jiawang Hong ◽

Alessandro Stroppa

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

First Principles Study ◽

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The First-Principles Study of Electronic and Optical Properties of Co-Cr Co-doped Rutile TiO2

ACTA PHOTONICA SINICA ◽

10.3788/gzxb20144308.0816002 ◽

2014 ◽

Vol 43 (8) ◽

pp. 816002

Author(s):

杨志怀 YANG Zhi-huai ◽

张云鹏 ZHANG Yun-peng ◽

康翠萍 KANG Cui-ping ◽

张蓉 ZHANG Rong ◽

张美光 ZHANG Mei-guang

Keyword(s):

Optical Properties ◽

First Principles ◽

Rutile Tio2 ◽

Electronic And Optical Properties ◽

First Principles Study ◽

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