First-principles study of the role of surface in the heavy-fermion compound 
CeRh2Si2

Yue-Chao Wang; Yuan-Ji Xu; Yu Liu; Xing-Jie Han; Xie-Gang Zhu; Yi-feng Yang; Yan Bi; Hai-Feng Liu; Hai-Feng Song

doi:10.1103/physrevb.103.165140

First-principles study of the role of surface in the heavy-fermion compound CeRh2Si2

Physical Review B ◽

10.1103/physrevb.103.165140 ◽

2021 ◽

Vol 103 (16) ◽

Author(s):

Yue-Chao Wang ◽

Yuan-Ji Xu ◽

Yu Liu ◽

Xing-Jie Han ◽

Xie-Gang Zhu ◽

...

Keyword(s):

First Principles ◽

Heavy Fermion ◽

First Principles Study ◽

Heavy Fermion Compound

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First-principles study of elastic and phonon properties of the heavy fermion compound CeMg

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/21/24/246001 ◽

2009 ◽

Vol 21 (24) ◽

pp. 246001 ◽

Cited By ~ 20

Author(s):

S L Shang ◽

L G Hector Jr ◽

Y Wang ◽

H Zhang ◽

Z K Liu

Keyword(s):

First Principles ◽

Heavy Fermion ◽

First Principles Study ◽

Heavy Fermion Compound ◽

Phonon Properties

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On the Role of Ti(IV) as a Lewis Acid in the Chemistry of Titanium Zeolites: Formation, Structure, Reactivity, and Aging of Ti−Peroxo Oxidizing Intermediates. A First Principles Study

The Journal of Physical Chemistry B ◽

10.1021/jp065494m ◽

2006 ◽

Vol 110 (43) ◽

pp. 21651-21661 ◽

Cited By ~ 40

Author(s):

Eleonora Spanó ◽

Gloria Tabacchi ◽

Aldo Gamba ◽

Ettore Fois

Keyword(s):

Lewis Acid ◽

First Principles ◽

First Principles Study

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First-Principles Study of ABO3: Role of the B–O Coulomb Repulsions for Ferroelectricity and Piezoelectricity

Ferroelectrics - Characterization and Modeling ◽

10.5772/17487 ◽

2011 ◽

Author(s):

Kaoru Miura

Keyword(s):

First Principles ◽

First Principles Study

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Role of heteroatoms in the adsorption of thiazole on Cu (1 1 1) surface: First principles study

Corrosion Science ◽

10.1016/j.corsci.2018.12.014 ◽

2019 ◽

Vol 148 ◽

pp. 171-177 ◽

Cited By ~ 4

Author(s):

Junwei Mao ◽

Xiaohong He ◽

Yongming Tang

Keyword(s):

First Principles ◽

First Principles Study

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First principles study of reactions in alucone growth: the role of the organic precursor

Dalton Transactions ◽

10.1039/d0dt01376e ◽

2020 ◽

Vol 49 (25) ◽

pp. 8710-8721

Author(s):

Arbresha Muriqi ◽

Michael Nolan

Keyword(s):

Thin Films ◽

Molecular Mechanism ◽

First Principles ◽

Organic Precursor ◽

First Principles Study ◽

Inorganic Thin Films ◽

Aluminium Alkoxides

First principles investigation of the molecular mechanism of the growth of hybrid organic–inorganic thin films of aluminium alkoxides, known as “alucones”.

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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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Role of vacancies in the structural stability ofα−TiO: A first-principles study based on density-functional calculations

Physical Review B ◽

10.1103/physrevb.72.054117 ◽

2005 ◽

Vol 72 (5) ◽

Cited By ~ 42

Author(s):

Jesús Graciani ◽

Antonio Márquez ◽

Javier Fdez. Sanz

Keyword(s):

Structural Stability ◽

First Principles ◽

Density Functional Calculations ◽

Density Functional ◽

First Principles Study

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Experimental and first-principles study of photoluminescent and optical properties of Na-doped CuAlO2: the role of the NaAl-2Na i complex

Journal of Physics D Applied Physics ◽

10.1088/0022-3727/48/33/335102 ◽

2015 ◽

Vol 48 (33) ◽

pp. 335102 ◽

Cited By ~ 5

Author(s):

Ruijian Liu ◽

Yongfeng Li ◽

Bin Yao ◽

Zhanhui Ding ◽

Rui Deng ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Study

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Role of Lattice Strain and Defect Chemistry on the Oxygen Vacancy Migration at the (8% Y2O3-ZrO2) / SrTiO3 Hetero-Interface: A First Principles Study

ECS Meeting Abstracts ◽

10.1149/ma2009-02/12/1311 ◽

2009 ◽

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Lattice Strain ◽

Defect Chemistry ◽

First Principles Study ◽

Vacancy Migration

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Role of intrinsic dipole on photocatalytic water splitting for Janus MoSSe/nitrides heterostructure: A first-principles study

Progress in Natural Science Materials International ◽

10.1016/j.pnsc.2019.05.003 ◽

2019 ◽

Vol 29 (3) ◽

pp. 335-340 ◽

Cited By ~ 10

Author(s):

Wenjin Yin ◽

Bo Wen ◽

Qingxia Ge ◽

Daifeng Zou ◽

Ying Xu ◽

...

Keyword(s):

Water Splitting ◽

First Principles ◽

Photocatalytic Water Splitting ◽

First Principles Study

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