First-principles study of the electric field gradient at the cubic-tetragonal phase transition in barium titanate

R. E. Alonso; C. O. Rodríguez; A. López García

doi:10.1103/physrevb.69.212106

First-principles study of the electric field gradient at the cubic-tetragonal phase transition in barium titanate

Physical Review B ◽

10.1103/physrevb.69.212106 ◽

2004 ◽

Vol 69 (21) ◽

Cited By ~ 6

Author(s):

R. E. Alonso ◽

C. O. Rodríguez ◽

A. López García

Keyword(s):

Phase Transition ◽

Barium Titanate ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

First Principles ◽

Tetragonal Phase ◽

First Principles Study ◽

Tetragonal Phase Transition

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Electric field gradient study on pure and Cd-doped In(111) surfaces: Correlation between experiments at the atomic scale and first-principles calculations

Physical Review B ◽

10.1103/physrevb.99.195435 ◽

2019 ◽

Vol 99 (19) ◽

Author(s):

G. N. Darriba ◽

R. Faccio ◽

M. Rentería

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

First Principles ◽

Atomic Scale ◽

First Principles Calculations

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First principles calculations of the electric field gradient tensors of Ba2NaOsO6, a Mott insulator with strong spin orbit coupling

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/ab9056 ◽

2020 ◽

Vol 32 (40) ◽

pp. 405802

Author(s):

Rong Cong ◽

Ravindra Nanguneri ◽

Brenda Rubenstein ◽

V F Mitrović

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

First Principles ◽

Mott Insulator ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

First Principles Calculations ◽

Strong Spin

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First-Principles Calculation of the Electric Field Gradient ofLi3N

Physical Review Letters ◽

10.1103/physrevlett.54.1192 ◽

1985 ◽

Vol 54 (11) ◽

pp. 1192-1195 ◽

Cited By ~ 241

Author(s):

P. Blaha ◽

K. Schwarz ◽

P. Herzig

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

First Principles ◽

First Principles Calculation

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First-principles calculation of the electric field gradient and magnetic hyperfine field in rare-earth metals (Gd to Lu) and dilute alloys with Cd

Solid State Communications ◽

10.1016/j.ssc.2010.07.012 ◽

2010 ◽

Vol 150 (37-38) ◽

pp. 1789-1793 ◽

Cited By ~ 14

Author(s):

S.K. Mohanta ◽

S.N. Mishra ◽

S.K. Srivastava ◽

M. Rots

Keyword(s):

Rare Earth ◽

Electric Field ◽

Hyperfine Field ◽

Electric Field Gradient ◽

Field Gradient ◽

First Principles ◽

Rare Earth Metals ◽

Magnetic Hyperfine Field ◽

First Principles Calculation ◽

Dilute Alloys

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Cubic to tetragonal phase transition effects on the electronic structures of pure and iron doped barium titanate

Solid State Communications ◽

10.1016/0038-1098(85)90162-0 ◽

1985 ◽

Vol 54 (11) ◽

pp. 951-956 ◽

Cited By ~ 16

Author(s):

F.M. Michel-Calendini ◽

L. Hafid ◽

G. Godefroy ◽

H. Chermette

Keyword(s):

Phase Transition ◽

Barium Titanate ◽

Tetragonal Phase ◽

Electronic Structures ◽

Iron Doped ◽

Transition Effects ◽

Doped Barium Titanate ◽

Tetragonal Phase Transition

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Dynamic microscopic structures and dielectric response in the cubic-to-tetragonal phase transition for BaTiO3 studied by first-principles molecular dynamics simulation

Journal of Applied Physics ◽

10.1063/1.3555587 ◽

2011 ◽

Vol 109 (5) ◽

pp. 054101 ◽

Cited By ~ 3

Author(s):

L. Xie ◽

Y. L. Li ◽

R. Yu ◽

Jing Zhu

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Tetragonal Phase ◽

Dielectric Response ◽

Dynamics Simulation ◽

Tetragonal Phase Transition ◽

First Principles Molecular Dynamics

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First-principles study of electric-field-induced topological phase transition in one-bilayer Bi(111)

Japanese Journal of Applied Physics ◽

10.7567/jjap.57.030309 ◽

2018 ◽

Vol 57 (3) ◽

pp. 030309 ◽

Cited By ~ 6

Author(s):

Hikaru Sawahata ◽

Naoya Yamaguchi ◽

Hiroki Kotaka ◽

Fumiyuki Ishii

Keyword(s):

Phase Transition ◽

Electric Field ◽

First Principles ◽

Topological Phase ◽

First Principles Study ◽

Topological Phase Transition

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Determination of the electric field gradient in RbCaF3 near the phase transition

Solid State Communications ◽

10.1016/0038-1098(92)90449-j ◽

1992 ◽

Vol 84 (9) ◽

pp. 869-873 ◽

Cited By ~ 5

Author(s):

M.A. Hepp ◽

P.P. Man ◽

A. Trokiner ◽

H. Zanni ◽

J. Fraissard

Keyword(s):

Phase Transition ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient

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Intrinsic and extrinsic effects near orthorhombic-tetragonal phase transition in barium titanate ceramics doped with small amounts of zirconium

Ceramics International ◽

10.1016/j.ceramint.2016.12.143 ◽

2017 ◽

Vol 43 (6) ◽

pp. 4919-4925 ◽

Cited By ~ 3

Author(s):

L. Amarande ◽

C. Miclea ◽

M. Cioangher ◽

I. Pasuk ◽

A. Iuga ◽

...

Keyword(s):

Phase Transition ◽

Barium Titanate ◽

Tetragonal Phase ◽

Titanate Ceramics ◽

Tetragonal Phase Transition ◽

Extrinsic Effects

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Strong, high-frequency, ac electric-field-induced rhombohedra-tetragonal phase transition in Pb(Mg1∕3Nb2∕3)O3–PbTiO3 single crystal

Journal of Applied Physics ◽

10.1063/1.1881794 ◽

2005 ◽

Vol 97 (7) ◽

pp. 074107 ◽

Cited By ~ 2

Author(s):

Chun Zhan ◽

Juntao Wu ◽

Shizhuo Yin ◽

Xiaoning Jiang

Keyword(s):

Phase Transition ◽

Electric Field ◽

Single Crystal ◽

Tetragonal Phase ◽

High Frequency ◽

Ac Electric Field ◽

High Frequency Ac ◽

Tetragonal Phase Transition

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