Abboud, M. Ozbey, D. H. Kilic, M. E. Durgun, E. 2024-01-19T12:03:16Z 2024-01-19T12:03:16Z 2022-04-05 2022-05 0022-3727 https://pubs.kist.re.kr/handle/201004/115248 Recently, novel two-dimensional (2D) GeP and GeAs systems have been fabricated by mechanical exfoliation and utilized in various applications. These developments have brought the 2D germanium-pnictogens, C2/m-GeX (X = N, P, As, Sb, and Bi) structures into the limelight. In this study, we systematically investigate the structural, mechanical, electronic, and charge carrier transport properties of GeX monolayers by using first-principles methods. Our results show that the considered systems are dynamically stable and possess anisotropic physical properties. Examined structures are found to be flexible, and their mechanical strength and stiffness decrease down the group-V, in line with the trends of the bond strength, cohesive energy, charge transfer, and electron localization function. Additionally, the zigzag in-plane direction is mechanically superior to the armchair direction. The electronic band structure calculations based on HSE06 hybrid functional with the inclusion of spin-orbit coupling indicate that GeX monolayers are either direct or quasi-direct semiconductors with band gaps lying within the infrared and visible spectrum. The estimated charge carrier mobilities are highly anisotropic and also differ significantly depending on the structure and carrier type. These unique properties render GeX monolayers as suitable 2D materials for flexible nanoelectronic applications. English IOP Publishing Ltd. Investigation of anisotropic mechanical, electronic, and charge carrier transport properties of germanium-pnictogen monolayers Article 10.1088/1361-6463/ac4cf9 1 Journal of Physics D: Applied Physics, v.55, no.18 Journal of Physics D: Applied Physics 55 18 N scie scopus 000751060100001 2-s2.0-85125454570 Physics, Applied Physics Article TOTAL-ENERGY CALCULATIONS TUNABLE BAND-GAP SN MONOLAYERS SEMICONDUCTORS GEAS SILICON STRAIN SIAS GEP LOCALIZATION two-dimensional materials ab initio calculations charge carrier transport germanium-pnictogens