Electronic structure, optical and dielectric properties of BaTiO3/CaTiO3/SrTiO3 ferroelectric superlattices from first-principles calculations

Bingcheng Luo; Xiaohui Wang; Enke Tian; Guowu Li; Longtu Li

doi:10.1039/c5tc01622c

Electronic structure, optical and dielectric properties of BaTiO3/CaTiO3/SrTiO3 ferroelectric superlattices from first-principles calculations

Journal of Materials Chemistry C ◽

10.1039/c5tc01622c ◽

2015 ◽

Vol 3 (33) ◽

pp. 8625-8633 ◽

Cited By ~ 49

Author(s):

Bingcheng Luo ◽

Xiaohui Wang ◽

Enke Tian ◽

Guowu Li ◽

Longtu Li

Keyword(s):

Electronic Structure ◽

Dielectric Properties ◽

Thermodynamic Properties ◽

First Principles ◽

Lattice Vibrations ◽

First Principles Calculations ◽

Optical Dielectric

The electronic structure, lattice vibrations, and optical, dielectric and thermodynamic properties of BaTiO3/CaTiO3/SrTiO3 (BT/CT/ST) ferroelectric superlattices are calculated by using first-principles calculations.

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Anisotropic elasticity, electronic structure and thermodynamic properties of Al-Fe-Si intermetallic compounds from first principles calculations

Solid State Communications ◽

10.1016/j.ssc.2019.113643 ◽

2019 ◽

Vol 298 ◽

pp. 113643

Author(s):

Yu Guo ◽

Ye Wang ◽

Hongtao Chen ◽

Hongyu Xu ◽

Maoliang Hu ◽

...

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

Intermetallic Compounds ◽

First Principles ◽

Anisotropic Elasticity ◽

First Principles Calculations

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Electronic structure, elastic, optical and thermodynamic properties of cubic perovskite NaBaF3 with pressure effects: First-principles calculations

Results in Physics ◽

10.1016/j.rinp.2021.103860 ◽

2021 ◽

Vol 22 ◽

pp. 103860

Author(s):

Zhenhang Jin ◽

Yiman Wu ◽

Song Li ◽

Qingfeng Wu ◽

Shanjun Chen ◽

...

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

Pressure Effects ◽

First Principles Calculations

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Influence of vacancy on the mechanical behavior, thermodynamic properties and electronic structure of orthorhombic Ti3Sn from first-principles calculations

Vacuum ◽

10.1016/j.vacuum.2021.110178 ◽

2021 ◽

Vol 188 ◽

pp. 110178

Author(s):

Jianbing Yang ◽

Xingzhi Pang ◽

Jie Han ◽

Mingjun Pang ◽

Fenggui Wei ◽

...

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

Mechanical Behavior ◽

First Principles ◽

First Principles Calculations

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The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations

Acta Physica Sinica ◽

10.7498/aps.57.7145 ◽

2008 ◽

Vol 57 (11) ◽

pp. 7145

Author(s):

Liu Na-Na ◽

Song Ren-Bo ◽

Sun Han-Ying ◽

Du Da-Wei

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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Study of electronic structure, elastic properties and thermodynamic properties of three PbTe phases: First-principles calculations

Optik ◽

10.1016/j.ijleo.2021.166533 ◽

2021 ◽

Vol 232 ◽

pp. 166533

Author(s):

Fei Xue ◽

Jihui Wang ◽

Xing Liu ◽

Xigui Sun

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

Elastic Properties ◽

First Principles ◽

First Principles Calculations

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Electronic Structure and Thermodynamic Properties of the Cubic Antiperovskite Compound InNCe $$_{3}$$ 3 via First-Principles Calculations

International Journal of Thermophysics ◽

10.1007/s10765-013-1434-y ◽

2013 ◽

Vol 34 (3) ◽

pp. 434-449 ◽

Cited By ~ 5

Author(s):

N. Bettahar ◽

D. Nasri ◽

S. Benalia ◽

M. Merabet ◽

B. Abidri ◽

...

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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First-principles calculations of the electronic structure, chemical bonding, and thermodynamic properties of USiO4

AIP Advances ◽

10.1063/5.0018203 ◽

2020 ◽

Vol 10 (7) ◽

pp. 075018

Author(s):

Li Su ◽

Lei Wan ◽

Tao Gao ◽

Bingyun Ao

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

Chemical Bonding ◽

First Principles ◽

First Principles Calculations

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First-principles calculations to investigate electronic structure and magnetic, mechanical and thermodynamic properties of d0 half-Heusler LiXN (X= Na, K, Rb) alloys

Solid State Sciences ◽

10.1016/j.solidstatesciences.2021.106633 ◽

2021 ◽

pp. 106633

Author(s):

Adesh Rohan Mishra ◽

Snehanshu Pal

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculations

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Electronic-structure and thermodynamic properties of ZnS1−Se ternary alloys from the first-principles calculations

Computational Materials Science ◽

10.1016/j.commatsci.2018.03.046 ◽

2018 ◽

Vol 149 ◽

pp. 386-396 ◽

Cited By ~ 7

Author(s):

Debing Long ◽

Mingkai Li ◽

Dongxue Meng ◽

Yunbin He

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

Ternary Alloys ◽

First Principles Calculations

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Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

Korean Journal of Metals and Materials ◽

10.3365/kjmm.2014.52.12.1025 ◽

2014 ◽

Vol 52 (12) ◽

pp. 1025-1029

Author(s):

Min-Wook Oh ◽

Tae-Gu Kang ◽

Byungki Ryu ◽

Ji Eun Lee ◽

Sung-Jae Joo ◽

...

Keyword(s):

Electronic Structure ◽

Absorption Spectra ◽

First Principles ◽

First Principles Calculations ◽

Rutile Tio2 ◽

X Ray ◽

X Ray Absorption

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