Investigating structure, magneto-electronic, elastic and thermoelectric properties of alkaline earth actinide perovskite oxide (BaBkO3) from first principle calculations

Computational Condensed Matter ◽

10.1016/j.cocom.2018.e00340 ◽

2018 ◽

Vol 17 ◽

pp. e00340 ◽

Author(s):

Khursheed Ahmad Parrey ◽

Nisha Devi ◽

Rabah Khenata ◽

Shakeel Ahmad Khandy

Keyword(s):

Thermoelectric Properties ◽

Alkaline Earth ◽

Perovskite Oxide ◽

First Principle ◽

First Principle Calculations

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Electronic structure and thermoelectric properties of (Mg2X)2 / (Mg2Y)2 (X, Y = Si, Ge, Sn) superlattices from first-principle calculations

The European Physical Journal B ◽

10.1140/epjb/e2016-60833-0 ◽

2016 ◽

Vol 89 (5) ◽

Author(s):

San-Dong Guo

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principle ◽

First Principle Calculations

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Room-temperature ferromagnetism in alkaline-earth-metal doped AlP: First-principle calculations

Computational Materials Science ◽

10.1016/j.commatsci.2017.10.041 ◽

2018 ◽

Vol 142 ◽

pp. 338-345 ◽

Author(s):

Shiyao Wang ◽

Xiaoli Fan ◽

Yurong An

Keyword(s):

Alkaline Earth ◽

Room Temperature ◽

Room Temperature Ferromagnetism ◽

Earth Metal ◽

Alkaline Earth Metal ◽

First Principle ◽

First Principle Calculations ◽

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Electronic and Thermoelectric Properties of Layered Sn- and Pb-Doped Ge2Sb2Te5 Alloys Using First Principle Calculations

Journal of Electronic Materials ◽

10.1007/s11664-016-4416-6 ◽

2016 ◽

Vol 45 (6) ◽

pp. 2950-2956 ◽

Author(s):

Janpreet Singh ◽

Gurinder Singh ◽

Aman Kaura ◽

S. K. Tripathi

Keyword(s):

Thermoelectric Properties ◽

First Principle ◽

First Principle Calculations

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Electronic structure, structural phase stability, optical and thermoelectric properties of Sr2AlM'O6 (M' = Nb and Ta) from first principle calculations

Computational Condensed Matter ◽

10.1016/j.cocom.2015.03.003 ◽

2015 ◽

Vol 4 ◽

pp. 13-22 ◽

Author(s):

Balasubramaniam Rameshe ◽

Mathrubutham Rajagopalan ◽

Balan Palanivel

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

Phase Stability ◽

Structural Phase ◽

First Principle ◽

First Principle Calculations

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The first principle calculations of magnetic and thermoelectric properties of Ba2CeCoO6 with GGA and mBJ approximations

Computational Condensed Matter ◽

10.1016/j.cocom.2019.e00380 ◽

2019 ◽

Vol 19 ◽

pp. e00380 ◽

Author(s):

Anissa Besbes ◽

Radouan Djelti ◽

Benaouda Bestani

Keyword(s):

Thermoelectric Properties ◽

First Principle ◽

First Principle Calculations

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First-principle calculations to investigate structural, electronic, optical, thermodynamic, and thermoelectric properties of ABO3 (A=Cs, Rb and B= Ta, Nb) compounds

Emergent Materials ◽

10.1007/s42247-021-00324-0 ◽

2021 ◽

Author(s):

Saadi Berri ◽

Nadir Bouarissa

Keyword(s):

Thermoelectric Properties ◽

First Principle ◽

First Principle Calculations

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Pressure induced excellent thermoelectric behavior in skutterudites CoSb3 and IrSb3

Physical Chemistry Chemical Physics ◽

10.1039/c8cp04301a ◽

2019 ◽

Vol 21 (2) ◽

pp. 851-858 ◽

Author(s):

Xiuxian Yang ◽

Zhenhong Dai ◽

Yinchang Zhao ◽

Wenchao Niu ◽

Jianye Liu ◽

...

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

Transport Theory ◽

First Principle ◽

Boltzmann Transport ◽

First Principle Calculations ◽

Boltzmann Transport Theory

We have used first principle calculations together with Boltzmann transport theory to calculate the electronic structure and thermoelectric properties of CoSb3 and IrSb3.

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First-principle calculations of the electronic, elastic and thermoelectric properties of Ag doped CuGaTe2

Intermetallics ◽

10.1016/j.intermet.2014.08.005 ◽

2014 ◽

Vol 55 ◽

pp. 204-209 ◽

Author(s):

Li Xue ◽

Bin Xu ◽

Degang Zhao ◽

Lin Yi

Keyword(s):

Thermoelectric Properties ◽

First Principle ◽

First Principle Calculations

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First principle calculations of GeTe and Ge2TeSe monolayers: Structural, electronic and thermoelectric properties

Materials Today Proceedings ◽

10.1016/j.matpr.2021.02.117 ◽

2021 ◽

Author(s):

Janpreet Singh ◽

Gurinder Singh ◽

S.K. Tripathi

Keyword(s):

Thermoelectric Properties ◽

First Principle ◽

First Principle Calculations

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First Principle Study of the optical and thermoelectric properties of tetragonal-silicene

Physical Chemistry Chemical Physics ◽

10.1039/d1cp01466h ◽

2021 ◽

Author(s):

Niladri S Mondal ◽

Subhadip Nath ◽

Debnarayan Jana ◽

Nanda Kumar Ghosh

Keyword(s):

Thermoelectric Properties ◽

First Principle ◽

Two Dimensional ◽

First Principle Calculations

We report the optical and thermoelectric properties of the two-dimensional Dirac material T-Silicene (TS) sheet and nanoribbons (NRs) by first-principle calculations. Both the optical and thermoelectric properties of TS can...

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