353 citations · 3.5k across the 52 of their papers we have counts for
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Inert gas as electronic impurity in semiconductors: The case for active infrared absorption in silicon
Nian-Ke Chen, Yu-Chen Gao, Ji-Hong Zhao +5
Inert (noble gas) elements are extremely inactive to surrounding chemical environment and are frequently employed as protective gas in various semiconductor fabrication processes.…
A Universal Description of Workfunction
Zeyu Jiang, Damien West, Shengbai Zhang
At the surfaces of materials, the bulk symmetry of the charge density is broken and electron spill-out into the vacuum region creates a surface dipole. Such spill-out has been hist…
Dative epitaxy of commensurate monocrystalline covalent-van der Waals moiré supercrystal
Mengying Bian, Liang Zhu, Xiao Wang +17
Realizing van der Waals (vdW) epitaxy in the 80s represents a breakthrough that circumvents the stringent lattice matching and processing compatibility requirements in conventional…
Small polarom formation by electron-electron interaction
Yunfan Liang, Min Cai, Lang Peng +4
In a solid, electrons can be scattered both by phonons and other electrons. First proposed by Landau, scattering by phonons can lead to a composite entity called a polaron, in whic…
Polarization at the Nanoscale
Ke Yang, Zeyu Jiang, Duk-Hyun Choe +2
Modern polarization theory yields surface bound charge associated with spontaneous polarization of bulk. However, understanding polarization in nano systems also requires a proper…
Chalcogenide perovskite BaZrS3 thin-film electronic and optoelectronic devices by low temperature processing
Zhonghai Yu, Xiucheng Wei, Yixiong Zheng +9
Owing to its superior visible light absorption and high chemical stability, chalcogenide perovskite barium zirconium sulfide has attracted significant attention in the past few yea…
Realization of AlSb in the double layer honeycomb structure: a robust new class of two-dimensional material
Le Qin, Zhi-Hao Zhang, Zeyu Jiang +10
Exploring new two-dimensional (2D) van der Waals (vdW) systems is at the forefront of materials physics. Here, through molecular beam epitaxy on graphene-covered SiC(0001), we repo…
Vector Potential and Surface Magnetic Field in Magnetoelectric Antiferromagnetic Materials
Zeyu Jiang, Damien West, Shengbai Zhang
A general formula for the average vector potential of bulk periodic systems is proposed and shown to set the boundary conditions at magnetic interfaces. For antiferromagnetic mater…
Realization of Semiconducting Layered Multiferroic Heterojunctions via Asymmetrical Magnetoelectric Coupling
Baishun Yang, Bin Shao, Jianfeng Wang +3
Two-dimensional (2D) semiconducting multiferroics that can effectively couple magnetic and polarization (P) orders have great interest for both fundamental research and technologic…
Ti-alloying of BaZrS3 chalcogenide perovskite for photovoltaics
Xiucheng Wei, Haolei Hui, Samanthe Perera +6
BaZrS3, a prototypical chalcogenide perovskite, has been shown to possess a direct band gap, an exceptionally strong near band edge light absorption, and good carrier transport. Co…
Fabrication of BaZrS3 chalcogenide perovskite thin films for optoelectronics
Xiucheng Wei, Haolei Hui, Chuan Zhao +14
BaZrS3 is a prototypical chalcogenide perovskite, an emerging class of unconventional semiconductor. Recent results on powder samples reveal that it is a material with a direct ban…
Spin-Triplet Excitonic Insulator: The Case of Graphone
Zeyu Jiang, Wenkai Lou, Yu Liu +5
While various excitonic insulators have been studied in the literature, due to the perceived too-small spin splitting, spin-triplet excitonic insulator is rare. In two-dimensional…
Topological carbon materials: a new perspective
Yuanping Chen, Yuee Xie, Xiaohong Yan +2
Carbon has numerous one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) allotropic structures. The study of carbon materials has been a major focus of material s…
Uncovering vacuum level in infinite solid by real-space potential-unfolding
Duk-Hyun Choe, Damien West, Shengbai Zhang
Although real materials are finite in size, electronic structure theory is built on the assumption of infinitely large solid, which led to a longstanding controversy: where is the…
Understanding the origin of bandgap problem in transition and post-transition metal oxides
Hengxin Tan, Haitao Liu, Yuanchang Li +2
Improving electronic structure calculations for practical and technologically-important materials has been a never-ending pursue. This is especially true for transition and post-tr…
Half Excitonic Insulator: A Single-Spin Bose-Einstein Condensate
Zeyu Jiang, Yuanchang Li, Wenhui Duan +1
First-principles calculations reveal an unusual electronic state (dubbed as half excitonic insulator) in monolayer 1T-MX2 (M = Co, Ni and X = Cl, Br). Its one spin channel has a ma…
Realizing intrinsic excitonic insulator by decoupling exciton binding energy from the minimum band gap
Zeyu Jiang, Yuanchang Li, Shengbai Zhang +1
Direct-gap materials hold promises for excitonic insulator. In contrast to indirect-gap materials, here the difficulty to distinguish from a Peierls charge density wave is circumve…
Long Range Magnetic order stabilized by acceptors
Xiaodong Zhang, Jingzhao Zhang, Shengbai Zhang +1
Tuning magnetic order in magnetic semiconductors is a long sought goal. A proper concentration of acceptors can dramatically suppress local magnetic order in favor of the long one.…
Nexus networks in carbon honeycombs
Yuanping Chen, Yuee Xie, Yan Gao +3
Nexus metals represent a new type of topological material in which nodal lines merge at nexus points. Here, we propose novel networks in nexus systems through intertwining between…
Prediction of Ideal Topological Semimetals with Triply Degenerate Points in NaCuTe Family
Jianfeng Wang, Xuelei Sui, Wujun Shi +6
Triply degenerate points (TDPs) in band structure of a crystal can generate novel TDP fermions without high-energy counterparts. Although identifying ideal TDP semimetals, which ho…
A Class of topological nodal rings and its realization in carbon networks
Yan Gao, Yuanping Chen, Yuee Xie +3
Topological nodal rings can be classified into three types according to the slopes in their energy dispersion. The first two are made of type-I and II nodal points, respectively, w…
Three-dimensional Pentagon Carbon with a genesis of emergent fermions
Chengyong Zhong, Yuanping Chen, Zhi-Ming Yu +4
Carbon, the basic building block of our universe, enjoys a vast number of allotropic structures. Owing to its bonding characteristic, most carbon allotropes possess the motif of he…
Built-in potential and band alignment of matter
Duk-Hyun Choe, Damien West, Shengbai Zhang
The built-in potential is the interfacial potential difference due to electric dipole at the interface of two dissimilar materials. It is of central importance to the understanding…
Universal stability of two-dimensional traditional semiconductors
Michael C. Lucking, Weiyu Xie, Duk-Hyun Choe +3
Interest in two dimensional materials has exploded in recent years. Not only are they studied due to their novel electronic properties, such as the emergent Dirac Fermion in graphe…