First-principles study of the structural and optoelectronic properties of ANbO3 (A = Na, K and Rb) in four crystal phases

First Principles Study ◽

Crystal Phases ◽

First principles study of structural and optoelectronic properties of Li based half Heusler alloys

Computational Condensed Matter ◽

10.1016/j.cocom.2018.01.002 ◽

2018 ◽

Vol 14 ◽

pp. 55-66 ◽

Cited By ~ 18

Author(s):

A. Amudhavalli ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti ◽

A.K. Kushwaha

Keyword(s):

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

First principles study of the structural and optoelectronic properties of the A2InSbO6 (A = Ca, Sr, Ba) compounds

Optik ◽

10.1016/j.ijleo.2016.10.139 ◽

2017 ◽

Vol 130 ◽

pp. 517-524 ◽

Cited By ~ 27

Author(s):

Kin Mun Wong ◽

Muhammad Irfan ◽

Asif Mahmood ◽

G. Murtaza

Keyword(s):

First Principles ◽

First Principles Study ◽

First-principles study of structural and optoelectronic properties of CsSnI3−yFy (y = 0, 1, 2, 3) perovskites

Indian Journal of Physics ◽

10.1007/s12648-019-01598-1 ◽

2019 ◽

Vol 94 (9) ◽

pp. 1351-1359 ◽

Cited By ~ 1

Author(s):

A. Amudhavalli ◽

R. Padmavathy ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

First Principles ◽

First Principles Study ◽

Optoelectronic properties of van der Waals stacked homo- and hetero-bilayers of tin-monochalcogenides: A first-principles study

Surfaces and Interfaces ◽

10.1016/j.surfin.2021.101083 ◽

2021 ◽

pp. 101083

Author(s):

Bakhtiar Ul Haq

Keyword(s):

First Principles ◽

Van Der Waals ◽

First Principles Study

Structural, chemical bonding and optoelectronic properties of Mg doped zinc chalcogenides: A first principles study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2014.09.016 ◽

2014 ◽

Vol 26 ◽

pp. 681-689 ◽

Cited By ~ 23

Author(s):

Naeem Ullah ◽

G. Murtaza ◽

R. Khenata ◽

Jan Rehman ◽

Haleem Ud Din ◽

...

Keyword(s):

Chemical Bonding ◽

First Principles ◽

First Principles Study ◽

Mg Doped

First-principles study on structural, mechanical and optoelectronic properties of lead-free mixed Ge–Sn hybrid organic-inorganic perovskites

Solid State Communications ◽

10.1016/j.ssc.2020.114024 ◽

2020 ◽

Vol 320 ◽

pp. 114024

Author(s):

K. Hossain ◽

S. Khanom ◽

F. Israt ◽

M.K. Hossain ◽

M.A. Hossain ◽

...

Keyword(s):

First Principles ◽

Lead Free ◽

First Principles Study

Structural and optoelectronic properties, and infrared spectrum of cubic BaSnO3 from first principles calculations

Journal of Applied Physics ◽

10.1063/1.4745873 ◽

2012 ◽

Vol 112 (4) ◽

pp. 043703 ◽

Cited By ~ 34

Author(s):

E. Moreira ◽

J. M. Henriques ◽

D. L. Azevedo ◽

E. W. S. Caetano ◽

V. N. Freire ◽

...

Keyword(s):

Infrared Spectrum ◽

First Principles ◽

First Principles Calculations ◽

First principles investigations of structural and optoelectronic properties of cubic MgxZn1−xSeyTe1−y quaternary semiconductor alloys using FP-LAPW approach

Applied Physics A ◽

10.1007/s00339-019-2938-5 ◽

2019 ◽

Vol 125 (9) ◽

Author(s):

Debankita Ghosh ◽

Sayantika Chanda ◽

Bimal Debnath ◽

Manish Debbarma ◽

Rahul Bhattacharjee ◽

...

Keyword(s):

First Principles ◽

Semiconductor Alloys ◽

Structural, Mechanical and Optoelectronic Properties of Y2M2O7 (M = Ti, V and Nb) Pyrochlores: A First Principles Study

Journal of Electronic Materials ◽

10.1007/s11664-017-5450-8 ◽

2017 ◽

Vol 46 (7) ◽

pp. 4640-4648 ◽

Cited By ~ 1

Author(s):

Noor Ullah ◽

Zahid Ali ◽

Imad Khan ◽

Gul Rehman ◽

Iftikhar Ahmad

Keyword(s):

First Principles ◽

First Principles Study

Optoelectronic properties of GaAs nanowire on the (100) surface adsorbed gas molecules: First-principles study

Physica B Condensed Matter ◽

10.1016/j.physb.2019.07.003 ◽

2019 ◽

Vol 571 ◽

pp. 174-180

Author(s):

Lei Liu ◽

Feifei Lu ◽

Sihao Xia ◽

Yu Diao

Keyword(s):

First Principles ◽

First Principles Study ◽

Adsorbed Gas ◽

Gaas Nanowire ◽

Gas Molecules