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Novel MAB phases and insights into their exfoliation into 2D MBenes
Mohammad Khazaei, Junjie Wang, Mehdi Estili +5
Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D) materials from layered bulk structures, ternary layered transition metal borides, known as MAB p…
Recent advances in MXenes: from fundamentals to applications
Mohammad Khazaei, Avanish Mishra, Natarajan S. Venkataramanan +2
The family of MAX phases and their derivative MXenes are continuously growing in terms of both crystalline and composition varieties. In the last couple of years, several breakthro…
Electronic structures of iMAX phases and their two-dimensional derivatives: A family of piezoelectric materials
Mohammad Khazaei, Vei Wang, Cem Sevik +3
Recently, a group of MAX phases, (MoY)AlC, (MoSc)AlC, (WSc)AlC, (WY)AlC, and (VZr)$_…
Correlation-Driven Dimerization and Topological Gap Opening in Isotropically Strained Graphene
Sandro Sorella, Kazuhiro Seki, Oleg O. Brovko +4
The phase diagram of isotropically expanded graphene cannot be correctly predicted by ignoring either electron correlations, or mobile carbons, or the effect of applied stress, as…
Insights into exfoliation possibility of MAX phases to MXenes
Mohammad Khazaei, Ahmad Ranjbar, Keivan Esfarjani +3
Chemical exfoliation of MAX phases into two-dimensional (2D) MXenes can be considered as a major breakthrough in the synthesis of novel 2D systems. To gain insight into the exfolia…
Electronic properties and applications of MXenes: a theoretical review
Mohammad Khazaei, Ahmad Ranjbar, Masao Arai +2
Recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional transition metal carbides and nitrides, so called MXenes, has brought new opportunity to materia…
Topological insulators in ordered double transition metals MMC (M= Mo, W; M= Ti, Zr, Hf) MXenes
Mohammad Khazaei, Ahmad Ranjbar, Masao Arai +1
The family of two-dimensional transition metal carbides, so called MXenes, has recently found new members with ordered double transition metals MMC, where M and M…
Nearly Free Electron States in MXenes
Mohammad Khazaei, Ahmad Ranjbar, Mahdi Ghorbani-Asl +4
Using a set of first-principles calculations, we studied the electronic structures of two-dimensional transition metal carbides and nitrides, so called MXenes, functionalized with…
OH terminated two-dimensional transition metal carbides and nitrides (MXenes) as ultralow work function materials
Mohammad Khazaei, Masao Arai, Taizo Sasaki +3
MXenes are a set of two-dimensional transition metal carbides and nitrides that offer many potential applications in energy storage and electronic devices. As an important paramete…
Large-Gap Two-Dimensional Topological Insulator in Oxygen Functionalized MXene
Hongming Weng, Ahmad Ranjbar, Yunye Liang +7
Two-dimensional (2D) topological insulator (TI) have been recognized as a new class of quantum state of matter. They are distinguished from normal 2D insulators with their nontrivi…
Giant switchable Rashba effect in oxide heterostructures
Zhicheng Zhong, Liang Si, Qinfang Zhang +3
One of the most fundamental phenomena and a reminder of the electron's relativistic nature is the Rashba spin splitting for broken inversion symmetry. Usually this splitting is a t…
Rock-salt SnS and SnSe: Native Topological Crystalline Insulators
Yan Sun, Zhicheng Zhong, Tomonori Shirakawa +5
Unlike time-reversal topological insulators, surface metallic states with Dirac cone dispersion in the recently discovered topological crystalline insulators (TCIs) are protected b…
Unexpected Anisotropic Two Dimensional Electron Gas at the LaAlO3/SrTiO3 (110) Interface
A. Annadi, X. Wang, K. Gopinadhan +17
The observation of a two dimensional electron gas (2DEG) (1, 2), superconductivity (3, 4), magnetic effects (5) and electronic phase separation (6-8) at the interfaces of insulatin…
Ab Initio Study of the Intrinsic Exchange Bias at the SrRuO/SrMnO Interface
Shuai Dong, Qinfang Zhang, Seiji Yunoki +2
In a recent publication (S. Dong et al., Phys. Rev. Lett.103, 127201 (2009)), two (related) mechanisms were proposed to understand the intrinsic exchange bias present in oxides het…
Strain driven onset of non-trivial topological insulating states in Zintl Sr compounds (=Pb, Sn)
Yan Sun, Xing-Qiu Chen, Dianzhong Li +4
We explore the topological behavior of the binary Zintl phase of the alkaline earth metals based compounds SrPb and SrSn using both standard and hybrid density functional t…
Multiferroic Properties of CaMnO
Guoquan Zhang, Shuai Dong, Zhibo Yan +5
We report that CaMnO is a new magnetic multiferroic material. The appearance of a ferroelectric polarization coinciding with the magnetic phase transition ( K) s…
Exchange bias driven by the Dzyaloshinskii-Moriya interaction and ferroelectric polarization at G-type antiferromagnetic perovskite interfaces
Shuai Dong, Kunihiko Yamauchi, Seiji Yunoki +6
Exchange bias is usually rationalized invoking spin pinning effects caused by uncompensated antiferromagnetic interfaces. However, for compensated antiferromagnets other extrinsic…