Ab Initio Statistical Mechanics of Structural Phase Transitions

Modern Problems in Condensed Matter Sciences - Electronic Phase Transitions ◽

10.1016/b978-0-444-88885-3.50008-1 ◽

1992 ◽

pp. 135-175 ◽

Author(s):

K.M. RABE ◽

J.D. JOANNOPOULOS

Keyword(s):

Phase Transitions ◽

Statistical Mechanics ◽

Ab Initio ◽

Structural Phase ◽

Structural Phase Transitions

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AB–INITIO MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL PHASE TRANSITIONS

Progress in Computational Physics of Matter ◽

10.1142/9789814261319_0001 ◽

1995 ◽

pp. 1-42 ◽

Author(s):

PAOLO FOCHER ◽

GUIDO L. CHIAROTTI

Keyword(s):

Molecular Dynamics ◽

Phase Transitions ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Structural Phase ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Structural Phase Transitions

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Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium

Physical Review B ◽

10.1103/physrevb.100.104110 ◽

2019 ◽

Vol 100 (10) ◽

Author(s):

D. Korbmacher ◽

A. Glensk ◽

A. I. Duff ◽

M. W. Finnis ◽

B. Grabowski ◽

...

Keyword(s):

Phase Transitions ◽

Ab Initio ◽

Structural Phase ◽

Structural Phase Transitions

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A mean-field model for structural phase transitions based on ab initio band calculations

Philosophical Magazine B ◽

10.1080/13642810008208605 ◽

2000 ◽

Vol 80 (2) ◽

pp. 165-170

Author(s):

P. Mohn

Keyword(s):

Phase Transitions ◽

Ab Initio ◽

Field Model ◽

Structural Phase ◽

Structural Phase Transitions ◽

Mean Field Model

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Quantum statistical mechanics of nonlinear excitations in a model for structural phase transitions

Physical Review B ◽

10.1103/physrevb.42.6675 ◽

1990 ◽

Vol 42 (10) ◽

pp. 6675-6682 ◽

Author(s):

A. Dobry ◽

A. Greco

Keyword(s):

Phase Transitions ◽

Statistical Mechanics ◽

Structural Phase ◽

Quantum Statistical Mechanics ◽

Structural Phase Transitions ◽

Nonlinear Excitations ◽

Quantum Statistical

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Ab-initio study of structural phase transitions and optoelectronic properties in BeH 2 at increasing pressure

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2016.02.001 ◽

2016 ◽

Vol 93 ◽

pp. 14-21 ◽

Author(s):

Vikas Nayak ◽

Udai Pratap Verma

Keyword(s):

Phase Transitions ◽

Ab Initio ◽

Structural Phase ◽

Optoelectronic Properties ◽

Ab Initio Study ◽

Structural Phase Transitions

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Dynamics and statistical mechanics of a one-dimensional model Hamiltonian for structural phase transitions

Physical Review B ◽

10.1103/physrevb.11.3535 ◽

1975 ◽

Vol 11 (9) ◽

pp. 3535-3545 ◽

Author(s):

J. A. Krumhansl ◽

J. R. Schrieffer

Keyword(s):

Phase Transitions ◽

Statistical Mechanics ◽

Structural Phase ◽

Structural Phase Transitions ◽

Dimensional Model ◽

One Dimensional ◽

Model Hamiltonian

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Ab initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coupled cluster theory

Physical Review B ◽

10.1103/physrevb.98.134108 ◽

2018 ◽

Vol 98 (13) ◽

Author(s):

Thomas Gruber ◽

Andreas Grüneis

Keyword(s):

Phase Transitions ◽

Boron Nitride ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Phase ◽

Coupled Cluster ◽

Structural Phase Transitions ◽

Coupled Cluster Theory ◽

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Dynamics and statistical mechanics of a one-dimensional model Hamiltonian for structural phase transitions

World Scientific Series in 20th Century Physics - Selected Papers of J Robert Schrieffer ◽

10.1142/9789812777041_0018 ◽

2002 ◽

pp. 153-163

Author(s):

J. A. Krumhansl ◽

J. R. Schrieffer

Keyword(s):

Phase Transitions ◽

Statistical Mechanics ◽

Structural Phase ◽

Structural Phase Transitions ◽

Dimensional Model ◽

One Dimensional ◽

Model Hamiltonian

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Dynamics and statistical mechanics of a one-dimensional model hamiltonian for structural phase transitions

10.2172/4241698 ◽

1974 ◽

Author(s):

J.A. Krumhansl ◽

J.R. Schrieffer

Keyword(s):

Phase Transitions ◽

Statistical Mechanics ◽

Structural Phase ◽

Structural Phase Transitions ◽

Dimensional Model ◽

One Dimensional ◽

Model Hamiltonian

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Possibilities of a Simplified Approach to Studying the Features of Structural Phase Transitions in H-Bonded Ferroelectrics with the use of Ab Initio Calculations

Russian Journal of Inorganic Chemistry ◽

10.1134/s0036023621050041 ◽

2021 ◽

Vol 66 (5) ◽

pp. 707-713

Author(s):

S. P. Dolin ◽

T. Yu. Mikhaylova ◽

N. N. Breslavskaya

Keyword(s):

Phase Transitions ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Phase ◽

Structural Phase Transitions ◽

Simplified Approach

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