Pressure induced structural phase transitions-A review

被引：26

作者：

Bhardwaj, Purvee ^{[1
]}

Singh, Sadhna ^{[1
]}

机构：

[1] Barkatullah Univ, Dept Phys, High Pressure Res Lab, Bhopal 462026, India

来源：

CENTRAL EUROPEAN JOURNAL OF CHEMISTRY | 2012年 / 10卷 / 05期

关键词：

Structural Phase transition; High pressure; Elastic properties; Alkaline earth; ELECTRONIC-STRUCTURE CALCULATIONS; MOLECULAR-DYNAMICS SIMULATION; ALKALINE-EARTH CHALCOGENIDES; PHONON-DISPERSION RELATIONS; BAND-OVERLAP METALLIZATION; TOTAL-ENERGY CALCULATIONS; X-RAY-DIFFRACTION; MEAN-FIELD THEORY; ELASTIC PROPERTIES; SINGLE-CRYSTAL;

D O I：

10.2478/s11532-012-0090-6

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The contemporary status of experimental as well as theoretical advances within the special view of structural phase transitions is reviewed. A brief outline of phase transitions and its classification is presented first. High-pressure experimental techniques developed for studying the structural phase transitions and elastic properties are reviewed. The complete set of theoretical and experimental data obtained is for the group II-IV alkaline earth chalcogenides. Here the authors review the currently used calculations and high-pressure behavior of these materials and the theoretical work that has been done on them.

引用

页码：1391 / 1422

页数：32

共 207 条

[1] Electronic and structural properties of BaTe [J].

Akbarzadeh, H ;

Dadsetani, M ;

Mehrani, M .

COMPUTATIONAL MATERIALS SCIENCE, 2000, 17 (01) :81-87

[2] Structural and magnetic phase transitions in simple oxides using hybrid functionals [J].

Alfredsson, M ;

Brodholt, JP ;

Wilson, PB ;

Price, GD ;

Corà, F ;

Calleja, A ;

Bruin, R ;

Blanshard, LJ ;

Tyer, RP .

MOLECULAR SIMULATION, 2005, 31 (05) :367-377

[3] THERMOELASTIC PARAMETERS FOR 6 MINERALS AT HIGH-TEMPERATURE [J].

ANDERSON, OL ;

ISAAK, DL ;

ODA, H .

JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH, 1991, 96 (B11) :18037-18046

[4] First-principles calculations of the electronic structure and spectra of strongly correlated systems: dynamical mean-field theory [J].

Anisimov, VI ;

Poteryaev, AI ;

Korotin, MA ;

Anokhin, AO ;

Kotliar, G .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (35) :7359-7367

[5] DENSITY-FUNCTIONAL THEORY AND NIO PHOTOEMISSION SPECTRA [J].

ANISIMOV, VI ;

SOLOVYEV, IV ;

KOROTIN, MA ;

CZYZYK, MT ;

SAWATZKY, GA .

PHYSICAL REVIEW B, 1993, 48 (23) :16929-16934

[6]

[Anonymous], J GEOPHYS RES

[7]

[Anonymous], 1964, Collected papers of P.W. Bridgman

[8]

[Anonymous], 1960, The Nature of the Chemical Bond, 3rd ed

[9] Full potential calculation of structural, electronic and elastic properties of alkaline earth oxides MgO, CaO and SrO [J].

Baltache, H ;

Khenata, R ;

Sahnoun, M ;

Driz, M ;

Abbar, B ;

Bouhafs, B .

PHYSICA B-CONDENSED MATTER, 2004, 344 (1-4) :334-342

[10] Structural and electronic properties of SrS, SrSe, and SrTe under pressure [J].

Banu, IBS ;

Rajagopalan, M ;

Palanivel, B ;

Kalpana, G ;

Shenbagaraman, P .

JOURNAL OF LOW TEMPERATURE PHYSICS, 1998, 112 (3-4) :211-226

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