Materials Science · Physics
First-principles prediction of structure, energetics, formation enthalpy, elastic constants, polarization, and piezoelectric constants of AlN, GaN, and InN: comparison of local and gradient-corrected density-functional theory
A. Zoroddu, F. Bernardini, P. Ruggerone, V. Fiorentini
2009-10-31
Superconductivity · Physics
Structural, Elastic, and Electronic Properties of Recently Discovered Ternary Silicide Superconductor Li2IrSi3: An ab-initio Study
M. A. Hadi, M. A. Alam, M. Roknuzzaman, M. T. Nasir +2
2015-05-12
Computational Physics · Physics
Hybrid functional study of non-linear elasticity and internal strain in zincblende III-V materials
Daniel S. P. Tanner, Miguel A. Caro, Stefan Schulz, Eoin P. O'Reilly
2018-12-12
Materials Science · Physics
Structural, elastic, electronic and optical properties of a newly predicted layered-ternary Ti4SiN3: A First-principles study
M. M. Hossain, M. S. Ali, A. K. M. A. Islam
2011-08-03
Materials Science · Physics
Accurate Electronic, Transport, and Bulk Properties of Gallium Arsenide (GaAs)
Yacouba Issa Diakite, Sibiri D. Traore, Yuriy Malozovsky, Bethuel Khamala +2
2016-01-21
Computational Physics · Physics
First principles calculations on theoretical band gap improvement of IIIA-VA zinc-blende semiconductor InAs
Waqas Mahmood, Arfan Bukhtiar, Muhammad Haroon, Bing Dong
2021-02-03
Materials Science · Physics
Electronic structure of wurtzite and zinc-blende AlN
P. Jonnard, N. Capron, F. Semond, J. Massies +2
2007-05-23
Materials Science · Physics
Electronic, vibrational, and thermodynamic properties of ZnS (zincblende and rocksalt structure)
M. Cardona, R. K. Kremer, R. Lauck, G. Siegle +3
2015-05-14
Materials Science · Physics
First-principles calculations of structural, electronic and optical properties of HfZn2
Md. Atikur Rahman, Md. Afjalur Rahman, Md. Zahidur Rahaman
2016-05-17
Materials Science · Physics
Electronic structures of ternary iron arsenides AFe$_2$As$_2$ (A=Ba, Ca, or Sr)
Fengjie Ma, Zhong-Yi Lu, Tao Xiang
2010-05-21
Materials Science · Physics
First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al$_{3}$Ta compound under high pressure
W. Leini, T. Zhang, Z. Wu, N. Wei
2018-04-02
Materials Science · Physics
High Pressure Study of Lithium Azide from Density-Functional Calculations
K. Ramesh Babu, Ch. Bheema Lingam, Surya P. Tewari, G. Vaitheeswaran
2013-11-07
Soft Condensed Matter · Physics
Electronic structure and optical properties of ZnX (X=O, S, Se, Te)
S. Zh. Karazhanov, P. Ravindran, A. Kjekshus, H. Fjellvag +1
2009-11-13
Materials Science · Physics
Structural, Elastic, Electronic and Optical Properties of a New Layered-Ternary Ta4SiC3 Compound
M. S. Islam, A. K. M. A. Islam
2015-05-19
Materials Science · Physics
Calculated Electronic and Related Properties of Wurtzite and Zinc Blende Gallium Nitride (GaN)
Yacouba Issa Diakité, Sibiry D. Traoré, Yuriy Malozovsky, Bethuel Khamala +2
2014-10-07
Materials Science · Physics
Structural, Elastic, Electronic, and Optical Properties of Layered TiNX (X = F, Cl, Br, I) Compounds: a Density Functional Theory Study
M. M. Hossain, S. H. Naqib
2020-04-22