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 . .

TY  - CONF
AU  - Pešić, Jelena
AU  - Popov, Igor
AU  - Damljanović, Vladimir
AU  - Gajić, Radoš
PY  - 2017
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/3088
AB  - We present first principle investigation of enhancement of the electron-phonon coupling of superconducting alkali-doped graphene (e.g. LiC6-mono) and thin layers of MgB2 using density functional theory (DFT). These systems resemble in many ways, not only in geometry but as well as in electronic structure. Namely, like in alkali-C6, where we have carbon hexagons with alkali adatom in the hollow site, in MgB2 there are boron hexagons with Mg in hollow site. For instance, both theoretical and experimental studies of LiC6-mono proved a possibility of superconductivity in doped graphene. Continuing this investigation, we explored an enhancement of electron-phonon coupling and the raise of critical temperature in LiC6-mono. Inspired by similarity of intercalated graphite with MgB2, we studied the electron-phonon coupling in MgB2 thin films. We used ab-initio calculations of phonon dispersion and electron-phonon-coupling within framework of DFT using Quantum Espresso. Our research included dopant and strain effects on an enhancement of electron-phonon coupling. We demonstrated an increase of electron-phonon coupling and critical temperatures.
PB  - ICTP - International Center for Theoretical Physics, Trieste, Italy
C3  - 18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
T1  - Enhancement of Electron-Phonon Coupling in Alkali-Doped Graphene and Thin MgB2 Layers
SP  - 58
UR  - https://hdl.handle.net/21.15107/rcub_rimsi_3088
ER  - 

@conference{
author = "Pešić, Jelena and Popov, Igor and Damljanović, Vladimir and Gajić, Radoš",
year = "2017",
abstract = "We present first principle investigation of enhancement of the electron-phonon coupling of superconducting alkali-doped graphene (e.g. LiC6-mono) and thin layers of MgB2 using density functional theory (DFT). These systems resemble in many ways, not only in geometry but as well as in electronic structure. Namely, like in alkali-C6, where we have carbon hexagons with alkali adatom in the hollow site, in MgB2 there are boron hexagons with Mg in hollow site. For instance, both theoretical and experimental studies of LiC6-mono proved a possibility of superconductivity in doped graphene. Continuing this investigation, we explored an enhancement of electron-phonon coupling and the raise of critical temperature in LiC6-mono. Inspired by similarity of intercalated graphite with MgB2, we studied the electron-phonon coupling in MgB2 thin films. We used ab-initio calculations of phonon dispersion and electron-phonon-coupling within framework of DFT using Quantum Espresso. Our research included dopant and strain effects on an enhancement of electron-phonon coupling. We demonstrated an increase of electron-phonon coupling and critical temperatures.",
publisher = "ICTP - International Center for Theoretical Physics, Trieste, Italy",
journal = "18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods",
title = "Enhancement of Electron-Phonon Coupling in Alkali-Doped Graphene and Thin MgB2 Layers",
pages = "58",
url = "https://hdl.handle.net/21.15107/rcub_rimsi_3088"
}

Pešić, J., Popov, I., Damljanović, V.,& Gajić, R.. (2017). Enhancement of Electron-Phonon Coupling in Alkali-Doped Graphene and Thin MgB2 Layers. in 18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
ICTP - International Center for Theoretical Physics, Trieste, Italy., 58.
https://hdl.handle.net/21.15107/rcub_rimsi_3088

Pešić J, Popov I, Damljanović V, Gajić R. Enhancement of Electron-Phonon Coupling in Alkali-Doped Graphene and Thin MgB2 Layers. in 18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods. 2017;:58.
https://hdl.handle.net/21.15107/rcub_rimsi_3088 .

Pešić, Jelena, Popov, Igor, Damljanović, Vladimir, Gajić, Radoš, "Enhancement of Electron-Phonon Coupling in Alkali-Doped Graphene and Thin MgB2 Layers" in 18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods (2017):58,
https://hdl.handle.net/21.15107/rcub_rimsi_3088 .

TY  - JOUR
AU  - Damljanović, Vladimir
AU  - Popov, Igor
AU  - Gajic, Rados
PY  - 2017
UR  - http://rimsi.imsi.bg.ac.rs/handle/123456789/1063
AB  - Dirac-like electronic states are the main engines powering tremendous advancements in the research of graphene, topological insulators and other materials with these states. Zero effective mass, high carrier mobility and numerous applications are some consequences of linear dispersion that distinguishes Dirac states. Here we report a new class of linear electronic bands in two-dimensional materials with zero electron effective mass and sharp band edges, and predict stable materials with such electronic structures utilizing symmetry group analysis and an ab initio approach. We make a full classification of completely linear bands in two-dimensional materials and find that only two classes exist: Dirac fermions on the one hand and fortune teller-like states on the other hand. The new class supports zero effective mass similar to that of graphene and anisotropic electronic properties like that of phosphorene.
PB  - Royal Soc Chemistry, Cambridge
T2  - Nanoscale
T1  - Fortune teller fermions in two-dimensional materials
EP  - 19345
IS  - 48
SP  - 19337
VL  - 9
DO  - 10.1039/c7nr07763g
ER  - 

@article{
author = "Damljanović, Vladimir and Popov, Igor and Gajic, Rados",
year = "2017",
abstract = "Dirac-like electronic states are the main engines powering tremendous advancements in the research of graphene, topological insulators and other materials with these states. Zero effective mass, high carrier mobility and numerous applications are some consequences of linear dispersion that distinguishes Dirac states. Here we report a new class of linear electronic bands in two-dimensional materials with zero electron effective mass and sharp band edges, and predict stable materials with such electronic structures utilizing symmetry group analysis and an ab initio approach. We make a full classification of completely linear bands in two-dimensional materials and find that only two classes exist: Dirac fermions on the one hand and fortune teller-like states on the other hand. The new class supports zero effective mass similar to that of graphene and anisotropic electronic properties like that of phosphorene.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Nanoscale",
title = "Fortune teller fermions in two-dimensional materials",
pages = "19345-19337",
number = "48",
volume = "9",
doi = "10.1039/c7nr07763g"
}

Damljanović, V., Popov, I.,& Gajic, R.. (2017). Fortune teller fermions in two-dimensional materials. in Nanoscale
Royal Soc Chemistry, Cambridge., 9(48), 19337-19345.
https://doi.org/10.1039/c7nr07763g

Damljanović V, Popov I, Gajic R. Fortune teller fermions in two-dimensional materials. in Nanoscale. 2017;9(48):19337-19345.
doi:10.1039/c7nr07763g .

Damljanović, Vladimir, Popov, Igor, Gajic, Rados, "Fortune teller fermions in two-dimensional materials" in Nanoscale, 9, no. 48 (2017):19337-19345,
https://doi.org/10.1039/c7nr07763g . .