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 ◽

First Principles Calculations ◽

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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 ◽

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 ◽

Author(s):

S.K. Mohanta ◽

S.N. Mishra ◽

S.K. Srivastava ◽

M. Rots

Keyword(s):

Electric Field ◽

Hyperfine Field ◽

Electric Field Gradient ◽

Field Gradient ◽

First Principles ◽

Rare Earth Metals ◽

Magnetic Hyperfine Field ◽

First Principles Calculation ◽

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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) ◽

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 tensor and charge densities in LaB6: B11 nuclear-magnetic-resonance single-crystal investigations and first-principles calculations

Journal of Applied Physics ◽

10.1063/1.2903150 ◽

2008 ◽

Vol 103 (8) ◽

pp. 083534 ◽

Author(s):

P. Herzig ◽

Z. Fojud ◽

O. J. Żogał ◽

A. Pietraszko ◽

A. Dukhnenko ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Electric Field ◽

Single Crystal ◽

Electric Field Gradient ◽

First Principles ◽

Electric Field Gradient Tensor ◽

First Principles Calculations ◽

Gradient Tensor ◽

Charge Densities

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A first-principles theory of the strain-effect electric field gradient in cubic metals due to point defects

Journal of Physics F Metal Physics ◽

10.1088/0305-4608/16/2/011 ◽

1986 ◽

Vol 16 (2) ◽

pp. 217-232 ◽

Author(s):

S Hafizuddin ◽

N C Mohapatra

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Point Defects ◽

First Principles ◽

Strain Effect ◽

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First-principles calculation of the electric-field gradient in hcp metals

Physical Review B ◽

10.1103/physrevb.37.2792 ◽

1988 ◽

Vol 37 (6) ◽

pp. 2792-2796 ◽

Author(s):

P. Blaha ◽

K. Schwarz ◽

P. H. Dederichs

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

First Principles ◽

First Principles Calculation

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Temperature dependence of the electric-field gradient in hcp-Cd from first principles

Physical Review B ◽

10.1103/physrevb.74.144304 ◽

2006 ◽

Vol 74 (14) ◽

Author(s):

D. Torumba ◽

K. Parlinski ◽

M. Rots ◽

S. Cottenier

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Temperature Dependence ◽

Field Gradient ◽

First Principles

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Electronic structure and electric field gradient calculations for the Zr2Ni intermetallic compound

International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde) ◽

10.3139/146.110179 ◽

2009 ◽

Vol 100 (9) ◽

pp. 1239-1241

Author(s):

A. Umićević ◽

J. Belošević-Čavor ◽

V. Koteski ◽

B. Cekić ◽

V. Ivanovski

Keyword(s):

Electronic Structure ◽

Intermetallic Compound ◽

Electric Field ◽

Electric Field Gradient ◽

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Real-space method for calculation of the electric field gradient: comparison with k-space results

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/2/1/012 ◽

1990 ◽

Vol 2 (1) ◽

pp. 149-158 ◽

Author(s):

M Methfessel ◽

S Frota-Pessoa

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

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