A Density Functional Study of Alkaline Earth Nitrides M3N2: Refined Geometries and High-Pressure Phases

S. Rebecca Römer; Peter Kroll; Wolfgang Schnick

doi:10.1002/zaac.200870128

A Density Functional Study of Alkaline Earth Nitrides M3N2: Refined Geometries and High-Pressure Phases

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/zaac.200870128 ◽

2008 ◽

Vol 634 (11) ◽

pp. 2072-2072

Author(s):

S. Rebecca Römer ◽

Peter Kroll ◽

Wolfgang Schnick

Keyword(s):

High Pressure ◽

Density Functional ◽

Alkaline Earth ◽

Functional Study ◽

Density Functional Study

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ChemInform Abstract: A Density Functional Study of Phosphorus Nitride P3N5: Refined Geometries, Properties, and Relative Stability of α-P3N5 and γ-P3N5 and a Further Possible High-Pressure Phase δ-P3N5 with Kyanite-Type Structure.

ChemInform ◽

10.1002/chin.200241002 ◽

2010 ◽

Vol 33 (41) ◽

pp. no-no

Author(s):

Peter Kroll ◽

Wolfgang Schnick

Keyword(s):

High Pressure ◽

Relative Stability ◽

Density Functional ◽

High Pressure Phase ◽

Type Structure ◽

Functional Study ◽

Density Functional Study ◽

Pressure Phase

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Density functional study of stability of high pressure phases in InP and InAs crystals

physica status solidi (b) ◽

10.1002/pssb.200945382 ◽

2009 ◽

Vol 247 (2) ◽

pp. 273-277 ◽

Cited By ~ 5

Author(s):

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P. K. Jha ◽

S. K. Gupta

Keyword(s):

High Pressure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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A Density Functional Study of Phosphorus Nitride P3N5: Refined Geometries, Properties, and Relative Stability of α-P3N5 and γ-P3N5 and a Further Possible High-Pressure Phase δ-P3N5 with Kyanite-Type Structure

Chemistry - A European Journal ◽

10.1002/1521-3765(20020802)8:15<3530::aid-chem3530>3.0.co;2-6 ◽

2002 ◽

Vol 8 (15) ◽

pp. 3530 ◽

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Author(s):

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Keyword(s):

High Pressure ◽

Relative Stability ◽

Density Functional ◽

High Pressure Phase ◽

Type Structure ◽

Functional Study ◽

Density Functional Study ◽

Pressure Phase

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Theoretical investigation of the alkaline-earth dihydrides from relativistic all-electron, pseudopotential, and density-functional study

The Journal of Chemical Physics ◽

10.1063/1.2437213 ◽

2007 ◽

Vol 126 (10) ◽

pp. 104307 ◽

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Author(s):

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Keyword(s):

Theoretical Investigation ◽

Density Functional ◽

Alkaline Earth ◽

Functional Study ◽

Density Functional Study

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All-electron local density functional study of metallic monolayers. II. Alkaline-earth metals

Journal of Physics F Metal Physics ◽

10.1088/0305-4608/14/3/013 ◽

1984 ◽

Vol 14 (3) ◽

pp. 681-690 ◽

Cited By ~ 41

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E Wimmer

Keyword(s):

Density Functional ◽

Alkaline Earth ◽

Local Density ◽

Alkaline Earth Metals ◽

Functional Study ◽

Density Functional Study ◽

Local Density Functional

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High-pressure transitions in bulk mercury: a density functional study

Theoretical Chemistry Accounts ◽

10.1007/s00214-011-1023-8 ◽

2011 ◽

Vol 130 (2-3) ◽

pp. 455-462 ◽

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Keyword(s):

High Pressure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density functional study of the high-pressure behavior of Ta3N5

Physica B Condensed Matter ◽

10.1016/j.physb.2016.04.035 ◽

2016 ◽

Vol 494 ◽

pp. 7-12 ◽

Cited By ~ 1

Author(s):

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Keyword(s):

High Pressure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Pressure Behavior

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Density Functional Study of Calcium Nitride: Refined Geometries and Prediction of High-Pressure Phases

The Journal of Physical Chemistry C ◽

10.1021/jp8077002 ◽

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Vol 113 (7) ◽

pp. 2943-2949 ◽

Cited By ~ 7

Author(s):

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Wolfgang Schnick ◽

Peter Kroll

Keyword(s):

High Pressure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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A comparative density functional study of the high-pressure phases of solid ZnX, CdX, and HgX (X = S, Se, and Te): Trends and relativistic effects

The Journal of Chemical Physics ◽

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Keyword(s):

High Pressure ◽

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Density Functional Study

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A screened hybrid density functional study on energetic complexes: Alkaline-earth metal carbohydrazide perchlorates

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.08.017 ◽

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Vol 915 (1-3) ◽

pp. 43-46 ◽

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Author(s):

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Keyword(s):

Density Functional ◽

Alkaline Earth ◽

Earth Metal ◽

Functional Study ◽

Alkaline Earth Metal ◽

Density Functional Study ◽

Hybrid Density Functional

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