Pressure-induced phase transformations in alkali-metal hydrides calculated using an improved linear-muffin-tin-orbital–atomic-sphere-approximation energy scheme

C. O. Rodriguez; M. Methfessel

doi:10.1103/physrevb.45.90

Pressure-induced phase transformations in alkali-metal hydrides calculated using an improved linear-muffin-tin-orbital–atomic-sphere-approximation energy scheme

Physical Review B ◽

10.1103/physrevb.45.90 ◽

1992 ◽

Vol 45 (1) ◽

pp. 90-96 ◽

Cited By ~ 20

Author(s):

C. O. Rodriguez ◽

M. Methfessel

Keyword(s):

Alkali Metal ◽

Phase Transformations ◽

Metal Hydrides ◽

Atomic Sphere ◽

Sphere Approximation ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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Linear Muffin-Tin Orbital Method in the Atomic Sphere Approximation

Full-Potential Electronic Structure Method - Springer Series in Solid-State Sciences ◽

10.1007/978-3-642-15144-6_5 ◽

2010 ◽

pp. 35-46

Author(s):

John M. Wills ◽

Mebarek Alouani ◽

Per Andersson ◽

Anna Delin ◽

Olle Eriksson ◽

...

Keyword(s):

Orbital Method ◽

Atomic Sphere ◽

Sphere Approximation ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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First-principles linear muffin-tin orbital atomic-sphere approximation calculations in real space

Physical Review B ◽

10.1103/physrevb.44.13283 ◽

1991 ◽

Vol 44 (24) ◽

pp. 13283-13290 ◽

Cited By ~ 66

Author(s):

Pascoal R. Peduto ◽

Sonia Frota-Pessa ◽

Michael S. Methfessel

Keyword(s):

First Principles ◽

Real Space ◽

Atomic Sphere ◽

Sphere Approximation ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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The self-consistent band structure of PtS2obtained by the linear muffin-tin orbital method in the atomic sphere approximation

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/21/28/011 ◽

1988 ◽

Vol 21 (28) ◽

pp. 4979-4988 ◽

Cited By ~ 1

Author(s):

C Mankai ◽

R Bennaceur

Keyword(s):

Band Structure ◽

The Self ◽

Orbital Method ◽

Atomic Sphere ◽

Self Consistent ◽

Sphere Approximation ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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Full-potential linear-muffin-tin orbital atomic-sphere approximation calculations of the electric field gradient in HCP metals

Physica B Condensed Matter ◽

10.1016/s0921-4526(97)00880-6 ◽

1998 ◽

Vol 245 (4) ◽

pp. 376-382 ◽

Cited By ~ 3

Author(s):

M.V Lalić ◽

Z.S Popović ◽

F.R Vukajlović

Keyword(s):

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Full Potential ◽

Atomic Sphere ◽

Sphere Approximation ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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Exact Exchange Potential Band-Structure Calculations by the Linear Muffin-Tin Orbital–Atomic-Sphere Approximation Method for Si, Ge, C, and MnO

Physical Review Letters ◽

10.1103/physrevlett.74.2989 ◽

1995 ◽

Vol 74 (15) ◽

pp. 2989-2992 ◽

Cited By ~ 114

Author(s):

Takao Kotani

Keyword(s):

Band Structure ◽

Approximation Method ◽

Exchange Potential ◽

Atomic Sphere ◽

Band Structure Calculations ◽

Sphere Approximation ◽

Exact Exchange ◽

Atomic Sphere Approximation ◽

Structure Calculations ◽

Linear Muffin Tin Orbital

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Linear muffin-tin-orbital atomic-sphere-approximation calculations of the electronic structure ofYBa2Cu3O7andYBa2Cu3O6

Physical Review B ◽

10.1103/physrevb.37.7525 ◽

1988 ◽

Vol 37 (13) ◽

pp. 7525-7528 ◽

Cited By ~ 24

Author(s):

Barbara Szpunar ◽

Vedene H. Smith

Keyword(s):

Electronic Structure ◽

Atomic Sphere ◽

Sphere Approximation ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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First application of the real space linear muffin-tin orbital atomic sphere approximation method for calculating Fermi contact hyperfine fields

Hyperfine Interactions ◽

10.1007/bf00568161 ◽

1993 ◽

Vol 78 (1-4) ◽

pp. 377-382 ◽

Cited By ~ 2

Author(s):

H. M. Petrilli ◽

Sonia Frota-Pess�a

Keyword(s):

Approximation Method ◽

Real Space ◽

Hyperfine Fields ◽

Atomic Sphere ◽

The Real ◽

Sphere Approximation ◽

Fermi Contact ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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The self-consistent band structure of PtSSe by the linear muffin-tin orbital method in the atomic sphere approximation

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/12/6/313 ◽

2000 ◽

Vol 12 (6) ◽

pp. 907-919

Author(s):

C Mankai ◽

H Romdhani

Keyword(s):

Band Structure ◽

The Self ◽

Orbital Method ◽

Atomic Sphere ◽

Self Consistent ◽

Sphere Approximation ◽

Atomic Sphere Approximation ◽

Linear Muffin Tin Orbital

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