Polymorphism in Bi-based perovskite oxides: A first-principles study

Physical Review Materials ◽

10.1103/physrevmaterials.2.104417 ◽

2018 ◽

Vol 2 (10) ◽

Author(s):

Akansha Singh ◽

Viveka N. Singh ◽

Enric Canadell ◽

Jorge Íñiguez ◽

Oswaldo Diéguez

Keyword(s):

First Principles ◽

Perovskite Oxides ◽

First Principles Study

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Investigations of structural, electronic and optical properties of TM-GaO3 (TM = Sc, Ti, Ag) perovskite oxides for optoelectronic applications: a first principles study

Materials Research Express ◽

10.1088/2053-1591/ab619c ◽

2020 ◽

Vol 7 (1) ◽

pp. 015906 ◽

Author(s):

Muhammad Iqbal Hussain ◽

R M Arif Khalil ◽

Fayyaz Hussain ◽

Muhammad Imran ◽

Anwar Manzoor Rana ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Perovskite Oxides ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Optoelectronic Applications

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1110 First-Principles Study of Complex Perovskite Oxides for Novel Lead-Free Piezoelectric Materials Development

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2011.24.378 ◽

2011 ◽

Vol 2011.24 (0) ◽

pp. 378-379

Author(s):

Akira IWASAKI ◽

Yasutomo UETSUJI ◽

Kazuyoshi TUCHIYA

Keyword(s):

First Principles ◽

Piezoelectric Materials ◽

Perovskite Oxides ◽

Lead Free ◽

Complex Perovskite ◽

Materials Development ◽

First Principles Study

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Investigations of structural, electronic and optical properties of YInO3 (Y = Rb, Cs, Fr) perovskite oxides using mBJ approximation for optoelectronic applications: A first principles study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2020.105064 ◽

2020 ◽

Vol 113 ◽

pp. 105064 ◽

Author(s):

Muhammad Iqbal Hussain ◽

R.M. Arif Khalil ◽

Fayyaz Hussain ◽

Muhammad Imran ◽

Anwar Manzoor Rana ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Perovskite Oxides ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Optoelectronic Applications

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First-principles study of structural, electronic and magnetic properties of double perovskite oxides Ba2CoMO6 (M=Mo and W)

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2015.02.038 ◽

2015 ◽

Vol 34 ◽

pp. 281-290 ◽

Author(s):

M. Musa Saad H.-E. ◽

Mohamed Anwar K. Abdelhalim ◽

A. El-Taher

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Double Perovskite ◽

Perovskite Oxides ◽

Electronic And Magnetic Properties ◽

First Principles Study

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First-principles Study of Lattice Defects-Induced Multiferroicity in Perovskite Oxides

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2019.32.200 ◽

2019 ◽

Vol 2019.32 (0) ◽

pp. 200

Author(s):

Takahiro SHIMADA ◽

Yasumitsu ARAKI ◽

Xu TAO ◽

Takayuki KITAMURA ◽

Hiroyuki HIRAKATA

Keyword(s):

First Principles ◽

Perovskite Oxides ◽

Lattice Defects ◽

First Principles Study

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Understanding the defect levels and photoluminescence in a series of bismuth-doped perovskite oxides: First-principles study

Physical Review B ◽

10.1103/physrevb.104.115101 ◽

2021 ◽

Vol 104 (11) ◽

Author(s):

Bibo Lou ◽

Jun Wen ◽

Lixin Ning ◽

Min Yin ◽

Chong-Geng Ma ◽

...

Keyword(s):

First Principles ◽

Perovskite Oxides ◽

First Principles Study ◽

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Electronic Structures of ATiO3 Perovskite Oxides (A=Ba, Sr, and Pb): Comparative First-Principles Study

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(07)00011-1 ◽

2008 ◽

pp. 133-143 ◽

Author(s):

Hironori Kawanishi ◽

Keisuke Ishizumi ◽

Isao Takahashi ◽

Hikaru Terauchi ◽

Yoshinori Hayafuji

Keyword(s):

First Principles ◽

Electronic Structures ◽

Perovskite Oxides ◽

First Principles Study

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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