First-principles study of ground-state properties of U2Mo

Xin Wang; Xiyue Cheng; Yuting Zhang; Ronghan Li; Weiwei Xing; Pengcheng Zhang; Xing-Qiu Chen

doi:10.1039/c4cp03841j

First-principles study of ground-state properties of U2Mo

Physical Chemistry Chemical Physics ◽

10.1039/c4cp03841j ◽

2014 ◽

Vol 16 (48) ◽

pp. 26974-26982 ◽

Cited By ~ 15

Author(s):

Xin Wang ◽

Xiyue Cheng ◽

Yuting Zhang ◽

Ronghan Li ◽

Weiwei Xing ◽

...

Keyword(s):

Intermetallic Compound ◽

Electronic Properties ◽

Ground State ◽

First Principles ◽

First Principles Calculations ◽

First Principles Study ◽

Ground State Properties

By means of first-principles calculations, we have systematically investigated the structural, elastic, vibrational, thermal and electronic properties of the ground-state phase for the intermetallic compound U2Mo.

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Electronic, structural and ground state properties of 3d transition metal mononitrides: A first principles study

10.1063/1.4810269 ◽

2013 ◽

Author(s):

R. Rajeswarapalanichamy ◽

M. Santhosh ◽

G. Sudha Priyanga ◽

A. T. Asvini Meenaatci ◽

S. Kanagaprabha

Keyword(s):

Transition Metal ◽

Ground State ◽

First Principles ◽

First Principles Study ◽

Ground State Properties

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First-principles study of electronic structure and ground-state properties of alkali-metal sulfides – Li2S, Na2S, K2S and Rb2S

physica status solidi (b) ◽

10.1002/pssb.200642506 ◽

2007 ◽

Vol 244 (4) ◽

pp. 1337-1346 ◽

Cited By ~ 44

Author(s):

R. D. Eithiraj ◽

G. Jaiganesh ◽

G. Kalpana ◽

M. Rajagopalan

Keyword(s):

Electronic Structure ◽

Alkali Metal ◽

Ground State ◽

First Principles ◽

Metal Sulfides ◽

First Principles Study ◽

Ground State Properties

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Impact of polytypism on the ground state properties of zinc oxide: A first-principles study

Results in Physics ◽

10.1016/j.rinp.2020.103316 ◽

2020 ◽

Vol 18 ◽

pp. 103316

Author(s):

A. Menad ◽

M.E. Benmalti ◽

A. Zaoui ◽

M. Ferhat

Keyword(s):

Zinc Oxide ◽

Ground State ◽

First Principles ◽

First Principles Study ◽

Ground State Properties

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Role of covalency in the ground-state properties of perovskite ruthenates: A first-principles study using local spin density approximations

Physical Review B ◽

10.1103/physrevb.73.235110 ◽

2006 ◽

Vol 73 (23) ◽

Cited By ~ 50

Author(s):

Kalobaran Maiti

Keyword(s):

Spin Density ◽

Ground State ◽

First Principles ◽

Local Spin ◽

First Principles Study ◽

Ground State Properties

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First principles calculations of the ground-state properties and structural phase transformation in CdO

Physical Review B ◽

10.1103/physrevb.66.205205 ◽

2002 ◽

Vol 66 (20) ◽

Cited By ~ 72

Author(s):

Roberto J. Guerrero-Moreno ◽

Noboru Takeuchi

Keyword(s):

Phase Transformation ◽

Ground State ◽

First Principles ◽

Structural Phase ◽

First Principles Calculations ◽

Structural Phase Transformation ◽

Ground State Properties

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Substrate-induced structures of bismuth adsorption on graphene: a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/c6cp03406c ◽

2016 ◽

Vol 18 (28) ◽

pp. 18978-18984 ◽

Cited By ~ 3

Author(s):

Shih-Yang Lin ◽

Shen-Lin Chang ◽

Hsin-Hsien Chen ◽

Shu-Hsuan Su ◽

Jung-Chun Huang ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

Monolayer Graphene ◽

First Principles Calculations ◽

Adsorbed Monolayer ◽

First Principles Study ◽

Geometric And Electronic Properties

The geometric and electronic properties of Bi-adsorbed monolayer graphene, enriched by the strong effect of a substrate, are investigated by first-principles calculations.

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First-principles study of ground-state properties and phase stability of vanadium nitrides

Calphad ◽

10.1016/j.calphad.2009.03.001 ◽

2009 ◽

Vol 33 (3) ◽

pp. 469-477 ◽

Cited By ~ 17

Author(s):

Chinnappan Ravi

Keyword(s):

Phase Stability ◽

Ground State ◽

First Principles ◽

Vanadium Nitrides ◽

First Principles Study ◽

Ground State Properties

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A first principles study of the interaction between two-dimensional black phosphorus and Al2O3dielectric

RSC Advances ◽

10.1039/c6ra27271a ◽

2017 ◽

Vol 7 (23) ◽

pp. 13777-13783 ◽

Cited By ~ 4

Author(s):

Jie Sun ◽

Na Lin ◽

Cheng Tang ◽

Hao Ren ◽

Xian Zhao

Keyword(s):

Electronic Properties ◽

First Principles ◽

Black Phosphorus ◽

Two Dimensional ◽

First Principles Calculations ◽

First Principles Study

First principles calculations have been performed to study the structural, energetic, and electronic properties of BP on Al-terminated and hydroxylated Al2O3(0001) surfaces.

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