TY  - JOUR
AU  - Pesic, Jelena
AU  - Popov, Igor
AU  - Solajic, Andrijana
AU  - Damljanović, Vladimir
AU  - Hingerl, Kurt
AU  - Belic, Milivoj
AU  - Gajic, Rados
PY  - 2019
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/1201
AB  - Magnesium diboride gained significant interest in the materials science community after the discovery of its superconductivity, with an unusually high critical temperature of 39 K. Many aspects of the electronic properties and superconductivity of bulk MgB2 and thin sheets of MgB2 have been determined; however, a single layer of MgB2 has not yet been fully theoretically investigated. Here, we present a detailed study of the structural, electronic, vibrational, and elastic properties of monolayer MgB2, based on ab initio methods. First-principles calculations reveal the importance of reduction of dimensionality on the properties of MgB2 and thoroughly describe the properties of this novel 2D material. The presence of a negative Poisson ratio, higher density of states at the Fermi level, and a good dynamic stability under strain make the MgB2 monolayer a prominent material, both for fundamental research and application studies.
PB  - MDPI, Basel
T2  - Condensed Matter
T1  - Ab Initio Study of the Electronic, Vibrational, and Mechanical Properties of the Magnesium Diboride Monolayer
IS  - 2
VL  - 4
DO  - 10.3390/condmat4020037
ER  - 

@article{
author = "Pesic, Jelena and Popov, Igor and Solajic, Andrijana and Damljanović, Vladimir and Hingerl, Kurt and Belic, Milivoj and Gajic, Rados",
year = "2019",
abstract = "Magnesium diboride gained significant interest in the materials science community after the discovery of its superconductivity, with an unusually high critical temperature of 39 K. Many aspects of the electronic properties and superconductivity of bulk MgB2 and thin sheets of MgB2 have been determined; however, a single layer of MgB2 has not yet been fully theoretically investigated. Here, we present a detailed study of the structural, electronic, vibrational, and elastic properties of monolayer MgB2, based on ab initio methods. First-principles calculations reveal the importance of reduction of dimensionality on the properties of MgB2 and thoroughly describe the properties of this novel 2D material. The presence of a negative Poisson ratio, higher density of states at the Fermi level, and a good dynamic stability under strain make the MgB2 monolayer a prominent material, both for fundamental research and application studies.",
publisher = "MDPI, Basel",
journal = "Condensed Matter",
title = "Ab Initio Study of the Electronic, Vibrational, and Mechanical Properties of the Magnesium Diboride Monolayer",
number = "2",
volume = "4",
doi = "10.3390/condmat4020037"
}

Pesic, J., Popov, I., Solajic, A., Damljanović, V., Hingerl, K., Belic, M.,& Gajic, R.. (2019). Ab Initio Study of the Electronic, Vibrational, and Mechanical Properties of the Magnesium Diboride Monolayer. in Condensed Matter
MDPI, Basel., 4(2).
https://doi.org/10.3390/condmat4020037

Pesic J, Popov I, Solajic A, Damljanović V, Hingerl K, Belic M, Gajic R. Ab Initio Study of the Electronic, Vibrational, and Mechanical Properties of the Magnesium Diboride Monolayer. in Condensed Matter. 2019;4(2).
doi:10.3390/condmat4020037 .

Pesic, Jelena, Popov, Igor, Solajic, Andrijana, Damljanović, Vladimir, Hingerl, Kurt, Belic, Milivoj, Gajic, Rados, "Ab Initio Study of the Electronic, Vibrational, and Mechanical Properties of the Magnesium Diboride Monolayer" in Condensed Matter, 4, no. 2 (2019),
https://doi.org/10.3390/condmat4020037 . .