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

Bivas Saha; Jagaran Acharya; Timothy D. Sands; Umesh V. Waghmare

doi:10.1063/1.3291117

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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Electronic structure, vibrational spectrum, and thermal properties of yttrium nitride: A first-principles study

Journal of Applied Physics ◽

10.1063/1.3561499 ◽

2011 ◽

Vol 109 (7) ◽

pp. 073720 ◽

Cited By ~ 31

Author(s):

Bivas Saha ◽

Timothy D. Sands ◽

Umesh V. Waghmare

Keyword(s):

Electronic Structure ◽

Thermal Properties ◽

Vibrational Spectrum ◽

First Principles ◽

First Principles Study

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A first principles study of the electronic structure, elastic and thermal properties of UB 2

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2017.04.006 ◽

2017 ◽

Vol 490 ◽

pp. 41-48 ◽

Cited By ~ 12

Author(s):

Ericmoore Jossou ◽

Linu Malakkal ◽

Barbara Szpunar ◽

Dotun Oladimeji ◽

Jerzy A. Szpunar

Keyword(s):

Electronic Structure ◽

Thermal Properties ◽

First Principles ◽

First Principles Study

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Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

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

Thin Solid Films ◽

10.1016/j.tsf.2021.138549 ◽

2021 ◽

Vol 721 ◽

pp. 138549

Author(s):

Yan Zhang ◽

Hua-Xin Chen ◽

Li Duan ◽

Ji-Bin Fan

Keyword(s):

Thermal Properties ◽

Dielectric Permittivity ◽

Elastic Constants ◽

First Principles ◽

Electronic Structures ◽

Zirconium Dioxide ◽

Optical Response ◽

First Principles Study ◽

Phonon Spectra

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First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

Computational Materials Science ◽

10.1016/j.commatsci.2011.10.042 ◽

2012 ◽

Vol 54 ◽

pp. 287-292 ◽

Cited By ~ 11

Author(s):

Xiao-Jun Chen ◽

Meng-Xue Zeng ◽

Ren-Nian Wang ◽

Zhou-Sheng Mo ◽

Bi-Yu Tang ◽

...

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

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First-principles study of electronic structure, sodium diffusion, and (de)intercalation in NASICON NaMR(MoO4)3 (M = Mg, Ni; R = Cr, Fe)

Ionics ◽

10.1007/s11581-021-04133-7 ◽

2021 ◽

Author(s):

Alexander Serdtsev ◽

Irina Kotova ◽

Nadezhda Medvedeva

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Study ◽

Sodium Diffusion

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First principles study on electronic structure and elastic properties of LaCd and LaHg

10.1063/1.4872850 ◽

2014 ◽

Author(s):

Hansa Devi ◽

Gitanjali Pagare ◽

S. S. Chouhan ◽

Sankar P. Sanyal

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

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First-principles study of electronic structure of deformed carbon nanotubes

Science and Technology of Advanced Materials ◽

10.1016/j.stam.2006.12.008 ◽

2007 ◽

Vol 8 (3) ◽

pp. 200-203 ◽

Cited By ~ 6

Author(s):

Kazuchika Iwami ◽

Hidekazu Goto ◽

Kikuji Hirose ◽

Tomoya Ono

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

First Principles Study

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First-principles study of the thermodynamic properties and electronic structure of compounds from Hf–Ni phase system

Computational Materials Science ◽

10.1016/j.commatsci.2010.04.019 ◽

2010 ◽

Vol 49 (1) ◽

pp. 55-59 ◽

Cited By ~ 6

Author(s):

Jana Radaković ◽

Katarina Ćirić ◽

Jelena Belošević-Čavor ◽

Vasil Koteski

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

Phase System ◽

First Principles Study

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First-principles study of the electronic structure of NaTaO3

Solid State Communications ◽

10.1016/s0038-1098(01)00353-2 ◽

2001 ◽

Vol 120 (4) ◽

pp. 137-140 ◽

Cited By ~ 21

Author(s):

Y.X. Wang ◽

W.L. Zhong ◽

C.L. Wang ◽

P.L. Zhang

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Study

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