Density Functional Study of the Phase Diagram and Pressure-Induced Superconductivity in P: Implication for Spintronics

Physical Review Letters ◽

10.1103/physrevlett.91.087002 ◽

2003 ◽

Vol 91 (8) ◽

Author(s):

S. Ostanin ◽

V. Trubitsin ◽

J. B. Staunton ◽

S. Y. Savrasov

Keyword(s):

Phase Diagram ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density functional study of the phase diagram of 3D C[sub 60]-polymers

10.1063/1.1342475 ◽

2000 ◽

Author(s):

Péter Rajczy

Keyword(s):

Phase Diagram ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density-functional study of the thermodynamic properties and the pressure–temperature phase diagram of Ti

Physical Review B ◽

10.1103/physrevb.80.104116 ◽

2009 ◽

Vol 80 (10) ◽

Author(s):

Zhi-Gang Mei ◽

Shun-Li Shang ◽

Yi Wang ◽

Zi-Kui Liu

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Temperature Phase ◽

Density Functional Study ◽

Temperature Phase Diagram

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Density functional study of the thermodynamic properties and phase diagram of the magnesium hydride

Calphad ◽

10.1016/j.calphad.2017.11.001 ◽

2018 ◽

Vol 60 ◽

pp. 7-15 ◽

Author(s):

Hasan S. AlMatrouk ◽

Viorel Chihaia ◽

Valentin Alexiev

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Density Functional ◽

Magnesium Hydride ◽

Functional Study ◽

Density Functional Study

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A density-functional study of the phase diagram of cementite-type (Fe,Mn)3C at absolute zero temperature

Journal of Computational Chemistry ◽

10.1002/jcc.21557 ◽

2010 ◽

Vol 31 (14) ◽

pp. 2620-2627 ◽

Author(s):

Jörg Von Appen ◽

Bernhard Eck ◽

Richard Dronskowski

Keyword(s):

Phase Diagram ◽

Density Functional ◽

Absolute Zero ◽

Functional Study ◽

Zero Temperature ◽

Density Functional Study

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Density functional study of the phase diagram and thermodynamic properties of Zr

Computational Materials Science ◽

10.1016/j.commatsci.2010.10.017 ◽

2011 ◽

Vol 50 (3) ◽

pp. 835-840 ◽

Author(s):

Cui-E. Hu ◽

Zhao-Yi Zeng ◽

Lin Zhang ◽

Xiang-Rong Chen ◽

Ling-Cang Cai

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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