The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

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First-principles study on the electronic structures and magnetic properties of TM-doped (TM = V, Cr, Mn, and Fe) tetragonal ScN monolayer

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2021.167764 ◽

2021 ◽

Vol 527 ◽

pp. 167764

Author(s):

Xiang Lin ◽

Zhuo Mao ◽

Shengjie Dong ◽

Xiaodong Jian ◽

Rong Han ◽

...

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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First-Principles Study of La Doping Effects on the Electronic Structures and Photocatalytic Properties of Anatase TiO2

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/28/cjcp1503038 ◽

2015 ◽

Vol 28 (6) ◽

pp. 681-687 ◽

Cited By ~ 1

Author(s):

Ping Huang ◽

Bo Shang ◽

Ling-jie Li ◽

Jing-lei Lei

Keyword(s):

First Principles ◽

Electronic Structures ◽

Anatase Tio2 ◽

Photocatalytic Properties ◽

La Doping ◽

First Principles Study ◽

Doping Effects

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First-principles study of structural, elastic, electronic, and thermal properties of LaAlO3 perovskite

Computational Materials Science ◽

10.1016/j.commatsci.2009.01.011 ◽

2009 ◽

Vol 45 (4) ◽

pp. 1068-1072 ◽

Cited By ~ 23

Author(s):

A. Boudali ◽

B. Amrani ◽

M. Driss khodja ◽

A. Abada ◽

K. Amara

Keyword(s):

Thermal Properties ◽

First Principles ◽

First Principles Study

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First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

Superlattices and Microstructures ◽

10.1016/j.spmi.2010.11.006 ◽

2011 ◽

Vol 49 (1) ◽

pp. 81-90 ◽

Cited By ~ 7

Author(s):

Wei-Feng Sun ◽

Mei-Cheng Li ◽

Lian-Cheng Zhao

Keyword(s):

First Principles ◽

Electronic Structures ◽

Relaxation Effect ◽

First Principles Study

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First-principles study on the atomic and electronic structures of the Au/Si(111)-α(√3 × √3)R30° surface

e-Journal of Surface Science and Nanotechnology ◽

10.1380/ejssnt.2004.146 ◽

2004 ◽

Vol 2 ◽

pp. 146-150 ◽

Cited By ~ 8

Author(s):

Takuya Kadohira ◽

Jun Nakamura ◽

Satoshi Watanabe

Keyword(s):

First Principles ◽

Electronic Structures ◽

First Principles Study

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First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications

Materials Science and Engineering B ◽

10.1016/j.mseb.2018.12.006 ◽

2018 ◽

Vol 238-239 ◽

pp. 50-60 ◽

Cited By ~ 2

Author(s):

M. Hassan ◽

N. Akhtar ◽

Q. Mahmood ◽

A. Laref

Keyword(s):

First Principles ◽

Electronic Structures ◽

Thermoelectric Device ◽

First Principles Study ◽

Device Applications

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Electronic structure, phonons, and thermal properties of ScN, ZrN, and HfN: A first-principles study

Journal of Applied Physics ◽

10.1063/1.3291117 ◽

2010 ◽

Vol 107 (3) ◽

pp. 033715 ◽

Cited By ~ 85

Author(s):

Bivas Saha ◽

Jagaran Acharya ◽

Timothy D. Sands ◽

Umesh V. Waghmare

Keyword(s):

Electronic Structure ◽

Thermal Properties ◽

First Principles ◽

First Principles Study

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The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

First Principles Study on Elastic Constants, Ferromagnetism and Electronic Structures of Alloyed Fe 3 Si Doped with Mo, Ti or Nb

The crystal and electronic structures, dynamical stabilities and thermal properties, elastic constants and mechanical stabilities, Born effective charges and dielectric constants of a novel tetragonal ZrO2 phase: First-principles calculations

Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

First-principles study on the electronic structures and magnetic properties of TM-doped (TM = V, Cr, Mn, and Fe) tetragonal ScN monolayer

First-Principles Study of La Doping Effects on the Electronic Structures and Photocatalytic Properties of Anatase TiO2

First-principles study of structural, elastic, electronic, and thermal properties of LaAlO3 perovskite

First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

First-principles study on the atomic and electronic structures of the Au/Si(111)-α(√3 × √3)R30° surface

First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications

Electronic structure, phonons, and thermal properties of ScN, ZrN, and HfN: A first-principles study

First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications