BPC2: Graphene-like ternary semi-metal material

Erdem Balcı; Ünal Özden Akkuş; Savas Berber

doi:10.1016/j.physe.2018.11.001

BPC₂: Graphene-like ternary semi-metal material

Erdem Balcı
, Ünal Özden Akkuş
, Savas Berber^*

^*Bu çalışma için yazışmadan sorumlu yazar

Gebze Technical University

Araştırma çıktısı: Dergi yayını › Makale › Hakem

6 Atıf (Scopus)

Özet

We predict a graphene-like BPC₂ monolayer using density functional theory (DFT) calculations. Three types of possible atom arrangements are constructed starting from BP monolayer: types I, II, and III. We find BPC₂ type I to be semi-metallic while the other atom arrangements have semiconductor character. According to our calculated phonon spectrum results, BPC₂ type I is stable while the others are dynamically not stable. Although all configurations are flat with no buckling, there is a unique stable structure for BPC₂ monolayer. We find that this stable BPC₂ monolayer is a new graphene-like Dirac semi-metal.

Orijinal dil	İngilizce
Sayfa (başlangıç-bitiş)	5-10
Sayfa sayısı	6
Dergi	Physica E: Low-Dimensional Systems and Nanostructures
Hacim	107
DOI'lar	https://doi.org/10.1016/j.physe.2018.11.001
Yayın durumu	Yayınlandı - Mar 2019
Harici olarak yayınlandı	Evet

Bibliyografik not

Publisher Copyright:
© 2018 Elsevier B.V.

Belgeye Erişim

10.1016/j.physe.2018.11.001

Diğer Dosyalar ve Linkler

Link to publication in Scopus

Alıntı Yap

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title = "BPC2: Graphene-like ternary semi-metal material",

abstract = "We predict a graphene-like BPC2 monolayer using density functional theory (DFT) calculations. Three types of possible atom arrangements are constructed starting from BP monolayer: types I, II, and III. We find BPC2 type I to be semi-metallic while the other atom arrangements have semiconductor character. According to our calculated phonon spectrum results, BPC2 type I is stable while the others are dynamically not stable. Although all configurations are flat with no buckling, there is a unique stable structure for BPC2 monolayer. We find that this stable BPC2 monolayer is a new graphene-like Dirac semi-metal.",

keywords = "2D materials, Density functional theory, Dirac semi-metal, Graphene-like",

author = "Erdem Balcı and Akku{\c s}, \{{\"U}nal {\"O}zden\} and Savas Berber",

note = "Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

year = "2019",

month = mar,

doi = "10.1016/j.physe.2018.11.001",

language = "English",

volume = "107",

pages = "5--10",

journal = "Physica E: Low-Dimensional Systems and Nanostructures",

issn = "1386-9477",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - BPC2

T2 - Graphene-like ternary semi-metal material

AU - Balcı, Erdem

AU - Akkuş, Ünal Özden

AU - Berber, Savas

PY - 2019/3

Y1 - 2019/3

N2 - We predict a graphene-like BPC2 monolayer using density functional theory (DFT) calculations. Three types of possible atom arrangements are constructed starting from BP monolayer: types I, II, and III. We find BPC2 type I to be semi-metallic while the other atom arrangements have semiconductor character. According to our calculated phonon spectrum results, BPC2 type I is stable while the others are dynamically not stable. Although all configurations are flat with no buckling, there is a unique stable structure for BPC2 monolayer. We find that this stable BPC2 monolayer is a new graphene-like Dirac semi-metal.

AB - We predict a graphene-like BPC2 monolayer using density functional theory (DFT) calculations. Three types of possible atom arrangements are constructed starting from BP monolayer: types I, II, and III. We find BPC2 type I to be semi-metallic while the other atom arrangements have semiconductor character. According to our calculated phonon spectrum results, BPC2 type I is stable while the others are dynamically not stable. Although all configurations are flat with no buckling, there is a unique stable structure for BPC2 monolayer. We find that this stable BPC2 monolayer is a new graphene-like Dirac semi-metal.

KW - 2D materials

KW - Density functional theory

KW - Dirac semi-metal

KW - Graphene-like

UR - https://www.scopus.com/pages/publications/85056953669

U2 - 10.1016/j.physe.2018.11.001

DO - 10.1016/j.physe.2018.11.001

M3 - Article

AN - SCOPUS:85056953669

SN - 1386-9477

VL - 107

SP - 5

EP - 10

JO - Physica E: Low-Dimensional Systems and Nanostructures

JF - Physica E: Low-Dimensional Systems and Nanostructures

ER -