Density-functional theory study of the pressure-induced phase transition in hydronitrogen compound N4H4

Physics Letters A ◽

10.1016/j.physleta.2014.03.024 ◽

2014 ◽

Vol 378 (18-19) ◽

pp. 1333-1335 ◽

Author(s):

Qi-Jun Liu ◽

Ning-Chao Zhang ◽

Yan-Yun Sun ◽

Ming-Jian Zhang ◽

Fu-Sheng Liu ◽

...

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain

Nano Research ◽

10.1007/s12274-014-0626-5 ◽

2014 ◽

Vol 8 (4) ◽

pp. 1348-1356 ◽

Author(s):

Min Kan ◽

Bo Wang ◽

Young Hee Lee ◽

Qiang Sun

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Density Functional ◽

Biaxial Strain ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Insulator ◽

Insulator Phase Transition ◽

Tunable Structure

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Density Functional Theory Study of Electronic Structure, Elastic Properties and Phase Transition of Gallium Phosphide (GaP)

Advanced Science Engineering and Medicine ◽

10.1166/asem.2014.1483 ◽

2014 ◽

Vol 6 (3) ◽

pp. 354-358 ◽

Author(s):

Kh. Kabita ◽

Jameson Maibam ◽

B. Indrajit Sharma ◽

R. K. Thapa ◽

R. K. Brojen Singh

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Electronic Structure ◽

Elastic Properties ◽

Density Functional ◽

Gallium Phosphide ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study on quasi-three-dimensional oxidized platinum surface: phase transition between α-PtO2-like and β-PtO2-like structures

Theoretical Chemistry Accounts ◽

10.1007/s00214-011-1012-y ◽

2011 ◽

Vol 130 (4-6) ◽

pp. 1031-1038 ◽

Author(s):

Tomomi Shimazaki ◽

Toshiya Suzuki ◽

Momoji Kubo

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Density Functional ◽

Three Dimensional ◽

Density Functional Theory Study ◽

Surface Phase ◽

Platinum Surface ◽

Functional Theory ◽

Surface Phase Transition

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Magnetostructural phase transition assisted by temperature in Ag–αMnO2: a density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c5cp08053c ◽

2016 ◽

Vol 18 (10) ◽

pp. 7442-7448 ◽

Author(s):

Francisco Sánchez Ochoa ◽

Zhiwei Huang ◽

Xingfu Tang ◽

Gregorio Hernández Cocoletzi ◽

Michael Springborg

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Structure and Capillary Phase Transition of a Polymer Melt in a Slitlike Pore: Effect of Attraction

The Journal of Physical Chemistry B ◽

10.1021/jp060986k ◽

2006 ◽

Vol 110 (29) ◽

pp. 14418-14425 ◽

Author(s):

Yang-Xin Yu ◽

Guang-Hua Gao ◽

Xiao-Lin Wang

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Density Functional ◽

Polymer Melt ◽

Density Functional Theory Study ◽

Functional Theory

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Electronic structures and phase transition characters of β-, P61-, P62- and δ-Si3N4under extreme conditions: A density functional theory study

Journal of Semiconductors ◽

10.1088/1674-4926/36/2/023003 ◽

2015 ◽

Vol 36 (2) ◽

pp. 023003

Author(s):

Dong Chen ◽

Yuping Cang ◽

Yongsong Luo

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Electronic Structures ◽

Density Functional ◽

Extreme Conditions ◽

Density Functional Theory Study ◽

Functional Theory

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Phase Transition and Optical Properties of Solid Oxygen under High Pressure: A Density Functional Theory Study

Chinese Physics Letters ◽

10.1088/0256-307x/25/7/076 ◽

2008 ◽

Vol 25 (7) ◽

pp. 2610-2613 ◽

Author(s):

Liu Yan-Hui ◽

Tian Fu-Bo ◽

Ma Yan-Ming ◽

He Zhi ◽

Cui Tian ◽

...

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

High Pressure ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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