Phonon modes and vibrational entropy of disordered alloys with short-range order: A first-principles calculation

Aftab Alam; Rajiv Kumar Chouhan; Abhijit Mookerjee

doi:10.1103/physrevb.83.054201

Phonon modes and vibrational entropy of disordered alloys with short-range order: A first-principles calculation

Physical Review B ◽

10.1103/physrevb.83.054201 ◽

2011 ◽

Vol 83 (5) ◽

Cited By ~ 23

Author(s):

Aftab Alam ◽

Rajiv Kumar Chouhan ◽

Abhijit Mookerjee

Keyword(s):

First Principles ◽

Short Range ◽

Short Range Order ◽

Range Order ◽

First Principles Calculation ◽

Vibrational Entropy ◽

Phonon Modes ◽

Disordered Alloys

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Systematic, multisite short-range-order corrections to the electronic structure of disordered alloys from first principles: The KKR nonlocal CPA from the dynamical cluster approximation

Physical Review B ◽

10.1103/physrevb.72.113105 ◽

2005 ◽

Vol 72 (11) ◽

Cited By ~ 36

Author(s):

D. A. Biava ◽

Subhradip Ghosh ◽

D. D. Johnson ◽

W. A. Shelton ◽

A. V. Smirnov

Keyword(s):

Electronic Structure ◽

First Principles ◽

Short Range ◽

Short Range Order ◽

Range Order ◽

Cluster Approximation ◽

Disordered Alloys ◽

Dynamical Cluster Approximation

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First-principles-based high-throughput computation for high entropy alloys with short range order

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2021.160776 ◽

2021 ◽

pp. 160776

Author(s):

V. Sorkin ◽

S. Chen ◽

Teck L. Tan ◽

Z.G. Yu ◽

M. Man ◽

...

Keyword(s):

High Throughput ◽

First Principles ◽

Short Range ◽

Short Range Order ◽

Range Order ◽

High Entropy Alloys ◽

High Entropy

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First-principles study of short range order and instabilities in AuCu, AuAg and AuPd alloys

Acta Metallurgica et Materialia ◽

10.1016/0956-7151(91)90117-j ◽

1991 ◽

Vol 39 (4) ◽

pp. 493-501 ◽

Cited By ~ 46

Author(s):

T. Mohri ◽

K. Terakura ◽

S. Takizawa ◽

J.M. Sanchez

Keyword(s):

First Principles ◽

Short Range ◽

Short Range Order ◽

Range Order ◽

First Principles Study

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Short range order and stability of a mechanically alloyed Cr25Nb75 glass determined by total scattering and first principles

Materials Research ◽

10.1590/1516-1439.323014 ◽

2014 ◽

Vol 17 (6) ◽

pp. 1677-1685 ◽

Cited By ~ 5

Author(s):

Georgios S.E. Antipas

Keyword(s):

First Principles ◽

Short Range ◽

Short Range Order ◽

Range Order ◽

Mechanically Alloyed ◽

Total Scattering

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Non-Mean-Field Theories of Short Range Order and Diffuse Scattering Anomalies in Disordered Alloys

Local Structure from Diffraction - Fundamental Materials Research ◽

10.1007/0-306-47077-2_12 ◽

2006 ◽

pp. 207-231

Author(s):

Igor Tsatskis

Keyword(s):

Diffuse Scattering ◽

Short Range ◽

Short Range Order ◽

Mean Field ◽

Range Order ◽

Field Theories ◽

Disordered Alloys ◽

Mean Field Theories

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COMPARISON OF TWO ANALYTICAL APPROXIMATIONS FOR CALCULATION OF THE SHORT-RANGE ORDER IN DISORDERED ALLOYS

Journal of Physics and Chemistry of Solids ◽

10.1016/s0022-3697(98)00234-0 ◽

1998 ◽

Vol 59 (9) ◽

pp. 1473-1476 ◽

Cited By ~ 10

Author(s):

R.V. Chepulskii

Keyword(s):

Short Range ◽

Short Range Order ◽

Range Order ◽

Disordered Alloys ◽

Analytical Approximations

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Density functional theory for disordered alloys with short-range order: Systematic inclusion of charge-correlation effects

Physical Review B ◽

10.1103/physrevb.73.165122 ◽

2006 ◽

Vol 73 (16) ◽

Cited By ~ 42

Author(s):

D. A. Rowlands ◽

A. Ernst ◽

B. L. Györffy ◽

J. B. Staunton

Keyword(s):

Density Functional Theory ◽

Short Range ◽

Density Functional ◽

Short Range Order ◽

Range Order ◽

Correlation Effects ◽

Functional Theory ◽

Disordered Alloys

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Analytical approximation for calculation of the short-range order in disordered alloys with nonpair atomic interactions

Physical Review B ◽

10.1103/physrevb.61.8606 ◽

2000 ◽

Vol 61 (13) ◽

pp. 8606-8609 ◽

Cited By ~ 8

Author(s):

R. V. Chepulskii

Keyword(s):

Short Range ◽

Short Range Order ◽

Analytical Approximation ◽

Range Order ◽

Disordered Alloys ◽

Atomic Interactions

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A 'first-principles' theory for magnetic correlations and atomic short-range order in paramagnetic alloys. I

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/6/30/016 ◽

1994 ◽

Vol 6 (30) ◽

pp. 5981-6000 ◽

Cited By ~ 15

Author(s):

M F Ling ◽

J B Staunton ◽

D D Johnson

Keyword(s):

First Principles ◽

Short Range ◽

Short Range Order ◽

Range Order ◽

Magnetic Correlations

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Disordered alloys with short-range order: A Korringa-Kohn-Rostoker formulation within the cluster coherent-potential approximation

Physical Review B ◽

10.1103/physrevb.48.1349 ◽

1993 ◽

Vol 48 (3) ◽

pp. 1349-1355 ◽

Cited By ~ 11

Author(s):

S. S. A. Razee ◽

R. Prasad

Keyword(s):

Short Range ◽

Short Range Order ◽

Coherent Potential Approximation ◽

Range Order ◽

Potential Approximation ◽

Disordered Alloys

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