First-principles calculation and experimental investigation of lattice dynamics in the rare-earth pyrochloresR2Ti2O7(R=Tb,Dy,Ho)

M. Ruminy; M. Núñez Valdez; B. Wehinger; A. Bosak; D. T. Adroja; U. Stuhr; K. Iida; K. Kamazawa; E. Pomjakushina; D. Prabakharan; M. K. Haas; L. Bovo; D. Sheptyakov; A. Cervellino; R. J. Cava; M. Kenzelmann; N. A. Spaldin; T. Fennell

doi:10.1103/physrevb.93.214308

First-principles calculation and experimental investigation of lattice dynamics in the rare-earth pyrochloresR2Ti2O7(R=Tb,Dy,Ho)

Physical Review B ◽

10.1103/physrevb.93.214308 ◽

2016 ◽

Vol 93 (21) ◽

Cited By ~ 19

Author(s):

M. Ruminy ◽

M. Núñez Valdez ◽

B. Wehinger ◽

A. Bosak ◽

D. T. Adroja ◽

...

Keyword(s):

Experimental Investigation ◽

Rare Earth ◽

First Principles ◽

Lattice Dynamics ◽

First Principles Calculation ◽

The Rare Earth

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Role of the rare-earth doping on the multiferroic properties of BaTiO3: First-principles calculation

Physica B Condensed Matter ◽

10.1016/j.physb.2021.413107 ◽

2021 ◽

pp. 413107

Author(s):

A.P. Aslla-Quispe ◽

R.H. Miwa ◽

J.D.S. Guerra

Keyword(s):

Rare Earth ◽

First Principles ◽

First Principles Calculation ◽

Rare Earth Doping ◽

Multiferroic Properties ◽

The Rare Earth

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Tuning charge transfer in the LaTiO3/RO/LaNiO3 (R = rare-earth) superlattices by the rare-earth oxides interfaces from a first-principles calculation

Journal of Applied Physics ◽

10.1063/1.5012965 ◽

2018 ◽

Vol 123 (11) ◽

pp. 115304

Author(s):

Fen Yao ◽

Lifang Zhang ◽

Junling Meng ◽

Xiaojuan Liu ◽

Xiong Zhang ◽

...

Keyword(s):

Rare Earth ◽

Charge Transfer ◽

First Principles ◽

Rare Earth Oxides ◽

First Principles Calculation ◽

The Rare Earth

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Insight into the Characteristics of 4f-Related Electronic Transitions for Rare-Earth-Doped KLuS2 Luminescent Materials through First-Principles Calculation

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b10273 ◽

2019 ◽

Vol 124 (1) ◽

pp. 932-938 ◽

Cited By ~ 2

Author(s):

Lingjun He ◽

Junling Meng ◽

Jing Feng ◽

Zhixiang Zhang ◽

Xiaojuan Liu ◽

...

Keyword(s):

Rare Earth ◽

First Principles ◽

First Principles Calculation ◽

Electronic Transitions ◽

Luminescent Materials ◽

Rare Earth Doped ◽

Insight Into

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First-principles calculation of magnetocrystalline anisotropy for rare-earth–iron ternary compounds

Physical Review B ◽

10.1103/physrevb.49.6741 ◽

1994 ◽

Vol 49 (10) ◽

pp. 6741-6745 ◽

Cited By ~ 9

Author(s):

Z. Zeng ◽

Q. Q. Zheng ◽

W. Y. Lai

Keyword(s):

Rare Earth ◽

First Principles ◽

Magnetocrystalline Anisotropy ◽

First Principles Calculation ◽

Ternary Compounds

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First-principles calculation of the electric field gradient and magnetic hyperfine field in rare-earth metals (Gd to Lu) and dilute alloys with Cd

Solid State Communications ◽

10.1016/j.ssc.2010.07.012 ◽

2010 ◽

Vol 150 (37-38) ◽

pp. 1789-1793 ◽

Cited By ~ 14

Author(s):

S.K. Mohanta ◽

S.N. Mishra ◽

S.K. Srivastava ◽

M. Rots

Keyword(s):

Rare Earth ◽

Electric Field ◽

Hyperfine Field ◽

Electric Field Gradient ◽

Field Gradient ◽

First Principles ◽

Rare Earth Metals ◽

Magnetic Hyperfine Field ◽

First Principles Calculation ◽

Dilute Alloys

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First-Principles Calculation of Lattice Dynamics of Skutterudite Compounds

Journal of the Physical Society of Japan ◽

10.1143/jpsjs.77sa.248 ◽

2008 ◽

Vol 77 (Suppl.A) ◽

pp. 248-250 ◽

Cited By ~ 6

Author(s):

Takumi Hasegawa ◽

Yuichi Takasu ◽

Norio Ogita ◽

Masayuki Udagawa

Keyword(s):

First Principles ◽

Lattice Dynamics ◽

First Principles Calculation

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First-Principles Calculation of the Lattice Dynamics of the Co0.92Fe0.08 Alloy

physica status solidi (b) ◽

10.1002/pssb.2221610211 ◽

1990 ◽

Vol 161 (2) ◽

pp. 565-574 ◽

Cited By ~ 8

Author(s):

R. Shyam ◽

S. C. Upadhyaya ◽

J. C. Upadhyaya

Keyword(s):

First Principles ◽

Lattice Dynamics ◽

First Principles Calculation

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Prediction of 4fn - 4fn-15d1 Transition Spectra of Rare-Earth Ions in Crystals Based on First-Principles Calculation

ECS Meeting Abstracts ◽

10.1149/ma2010-02/43/2339 ◽

2010 ◽

Keyword(s):

Rare Earth ◽

First Principles ◽

Rare Earth Ions ◽

First Principles Calculation

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Pressure dependence of harmonic and anharmonic lattice dynamics in MgO: A first-principles calculation and implications for lattice thermal conductivity

Physics of The Earth and Planetary Interiors ◽

10.1016/j.pepi.2008.10.003 ◽

2009 ◽

Vol 174 (1-4) ◽

pp. 33-38 ◽

Cited By ~ 27

Author(s):

Xiaoli Tang ◽

Jianjun Dong

Keyword(s):

Thermal Conductivity ◽

Pressure Dependence ◽

First Principles ◽

Lattice Dynamics ◽

Lattice Thermal Conductivity ◽

First Principles Calculation ◽

Anharmonic Lattice

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A first-principles study of the proton and oxygen migration behavior in the rare-earth perovskite SmNiO3

Journal of Computational Electronics ◽

10.1007/s10825-020-01501-w ◽

2020 ◽

Vol 19 (3) ◽

pp. 905-909

Author(s):

Chunfeng Lan ◽

Huanhuan Li ◽

Shuai Zhao

Keyword(s):

Rare Earth ◽

First Principles ◽

Migration Behavior ◽

First Principles Study ◽

Oxygen Migration ◽

The Rare Earth

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