Magnetic exchange interactions and band gap bowing in NixMg1−xO (0.0 ≤ x ≤ 1.0): A GGA+U density functional study

Sayandeep Ghosh; Suchit Kumar Jena; Pankaj Kumar Mishra; Mohindar S. Seehra; Subhash Thota

doi:10.1063/1.5126744

Magnetic exchange interactions and band gap bowing in NixMg1−xO (0.0 ≤ x ≤ 1.0): A GGA+U density functional study

Journal of Applied Physics ◽

10.1063/1.5126744 ◽

2019 ◽

Vol 126 (23) ◽

pp. 233904

Author(s):

Sayandeep Ghosh ◽

Suchit Kumar Jena ◽

Pankaj Kumar Mishra ◽

Mohindar S. Seehra ◽

Subhash Thota

Keyword(s):

Band Gap ◽

Density Functional ◽

Exchange Interactions ◽

Functional Study ◽

Magnetic Exchange ◽

Density Functional Study

Get full-text (via PubEx)

A density-functional study of the balance of magnetic exchange interactions in CaMn2Sb2 and SrMn2Sb2

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/zaac.200670064 ◽

2006 ◽

Vol 632 (12-13) ◽

pp. 2108-2108

Author(s):

Michael Gilleßen ◽

Svilen Bobev ◽

Richard Dronskowski

Keyword(s):

Density Functional ◽

Exchange Interactions ◽

Functional Study ◽

Magnetic Exchange ◽

Density Functional Study

Get full-text (via PubEx)

Band gap tuning of Ge/SiC bilayers under an electric field: a density functional study, "Письма в Журнал экспериментальной и теоретической физики"

Письма в Журнал экспериментальной и теоретической физики ◽

10.7868/s0370274x17130100 ◽

2017 ◽

pp. 51-51

Author(s):

M. Luo ◽

Y.E. Xu ◽

Y. X. Song

Keyword(s):

Electric Field ◽

Band Gap ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Band Gap Tuning

Get full-text (via PubEx)

Band gap modulation of bilayer graphene by single and dual molecular doping: A van der Waals density-functional study

Chemical Physics Letters ◽

10.1016/j.cplett.2014.10.034 ◽

2014 ◽

Vol 616-617 ◽

pp. 75-80 ◽

Cited By ~ 11

Author(s):

Tao Hu ◽

Iann C. Gerber

Keyword(s):

Band Gap ◽

Density Functional ◽

Van Der Waals ◽

Bilayer Graphene ◽

Functional Study ◽

Density Functional Study ◽

Molecular Doping ◽

Band Gap Modulation

Get full-text (via PubEx)

Impact of non-metal dopants on band-gap engineering and photocatalytic ability of λ-Ta2O5 from a hybrid density functional study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2017.01.033 ◽

2017 ◽

Vol 700 ◽

pp. 1-11 ◽

Cited By ~ 4

Author(s):

Zhen Liu ◽

Jingjing Zhang ◽

Yang Lv ◽

Xin Zhou ◽

Shenmin Li

Keyword(s):

Band Gap ◽

Density Functional ◽

Functional Study ◽

Photocatalytic Ability ◽

Band Gap Engineering ◽

Density Functional Study ◽

Hybrid Density Functional

Get full-text (via PubEx)

Density functional study of magnetic exchange of dinuclear manganese complexes with the heteropolymolyanion: [MnII 2(X n+Mo9O33)2]2(n−10)− (X = PV, AsV, SeVI)

Science in China Series B Chemistry ◽

10.1007/s11426-008-0123-3 ◽

2008 ◽

Vol 51 (12) ◽

pp. 1174-1181 ◽

Cited By ~ 4

Author(s):

Liang Fang ◽

Wei Guan ◽

LiKai Yan ◽

GuoChun Yang ◽

ZhongMin Su ◽

...

Keyword(s):

Density Functional ◽

Functional Study ◽

Manganese Complexes ◽

Magnetic Exchange ◽

Density Functional Study

Get full-text (via PubEx)

Hybrid density functional study of band gap engineering of SrTiO3 photocatalyst via doping for water splitting

Physical Review Materials ◽

10.1103/physrevmaterials.5.065801 ◽

2021 ◽

Vol 5 (6) ◽

Author(s):

Y. S. Hou ◽

S. Ardo ◽

R. Q. Wu

Keyword(s):

Band Gap ◽

Water Splitting ◽

Density Functional ◽

Functional Study ◽

Band Gap Engineering ◽

Density Functional Study ◽

Hybrid Density Functional

Get full-text (via PubEx)

Band gap tuning of 1T-MoS2/SiC bilayers with normal strain: A density functional study

Optik ◽

10.1016/j.ijleo.2017.01.075 ◽

2017 ◽

Vol 135 ◽

pp. 79-84 ◽

Cited By ~ 1

Author(s):

M. Luo ◽

Y.E. Xu ◽

Y.X. Song

Keyword(s):

Band Gap ◽

Density Functional ◽

Functional Study ◽

Normal Strain ◽

Density Functional Study ◽

Band Gap Tuning

Get full-text (via PubEx)

Strain-assisted structural transformation and band gap tuning in BeO, MgTe, CdS and 2H-SiC: A hybrid density functional study

EPL (Europhysics Letters) ◽

10.1209/0295-5075/106/57001 ◽

2014 ◽

Vol 106 (5) ◽

pp. 57001 ◽

Cited By ~ 19

Author(s):

Liwei Shi ◽

Yun Qin ◽

Jing Hu ◽

Yifeng Duan ◽

Licheng Qu ◽

...

Keyword(s):

Band Gap ◽

Structural Transformation ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Band Gap Tuning ◽

Hybrid Density Functional

Get full-text (via PubEx)

Band gap tuning of Ge/SiC bilayers under an electric field: a density functional study

JETP Letters ◽

10.1134/s0021364017130021 ◽

2017 ◽

Vol 106 (1) ◽

pp. 46-50 ◽

Cited By ~ 1

Author(s):

M. Luo ◽

Y. E. Xu ◽

Y. X. Song

Keyword(s):

Electric Field ◽

Band Gap ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Band Gap Tuning

Get full-text (via PubEx)

Two Tetranuclear Copper(II) Complexes with Open Cubane-Like Cu4O4Core Framework and Ferromagnetic Exchange Interactions between Copper(II) Ions: Structure, Magnetic Properties, and Density Functional Study

European Journal of Inorganic Chemistry ◽

10.1002/ejic.201301515 ◽

2014 ◽

Vol 2014 (9) ◽

pp. 1552-1560 ◽

Cited By ~ 30

Author(s):

Elif Gungor ◽

Hulya Kara ◽

Enrique Colacio ◽

Antonio J. Mota

Keyword(s):

Magnetic Properties ◽

Density Functional ◽

Exchange Interactions ◽

Functional Study ◽

Density Functional Study ◽

Ferromagnetic Exchange

Get full-text (via PubEx)