arXiv subjects

Changfeng Chen

Publications and source records attributed to Changfeng Chen.

32 records · Page 2Linked to original sources

arXiv2015

Phosphorene: Fabrication, Properties and Applications

Phosphorene, the single- or few-layer form of black phosphorus, was recently rediscovered as a twodimensional layered material holding great promise for applications in electronics and optoelectronics. Research into its fundamental properties and device applications has since seen exponential growth. In this Perspective, we review recent progress in phosphorene research, touching upon topics on fabrication, properties, and applications; we also discuss challenges and future research directions. We highlight the intrinsically anisotropic electronic, transport, optoelectronic, thermoelectric, and mechanical properties of phosphorene resulting from its puckered structure in contrast to those of graphene and transition-metal dichalcogenides. The facile fabrication and novel properties of phosphorene have inspired design and demonstration of new nanodevices; however, further progress hinges on resolutions to technical obstructions like surface degradation effects and non-scalable fabrication techniques. We also briefly describe the latest developments of more sophisticated design concepts and implementation schemes that address some of the challenges in phosphorene research. It is expected that this fascinating material will continue to offer tremendous opportunities for research and development for the foreseeable future.

cond-mat.mtrl-sci↗

arXiv2015

Ultralow-frequency collective compression mode and strong interlayer coupling in multilayer black phosphorus

The recent renaissance of black phosphorus (BP) as a two-dimensional 2D layered material has generated tremendous interest in its tunable electronic band gap and highly anisotropic transport properties that offer new opportunities for device applications. Many of these outstanding properties are attributed to its unique structural characters that still need elucidation. Here we show Raman measurements that reveal an ultralow-frequency collective compression mode (CCM), which is unprecedented among similar 2D layered materials. This novel CCM indicates an unusually strong interlayer coupling in BP, which is quantitatively supported by a phonon frequency analysis and first-principles calculations. Moreover, the CCM and another branch of low-frequency Raman modes shift sensitively with changing number of layers, allowing an accurate determination of the thickness up to tens of atomic layers, which is considerably higher than those previously achieved by using high-frequency Raman modes. These results offer fundamental insights and practical tools for exploring multilayer BP in new device applications.

cond-mat.mes-hall↗

arXiv2015

Anisotropic Ripple Deformation in Phosphorene

Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.

cond-mat.mtrl-sci↗

arXiv2015

Proximity Enhanced Quantum Spin Hall State in Graphene

Graphene is the first model system of two-dimensional topological insulator (TI), also known as quantum spin Hall (QSH) insulator. The QSH effect in graphene, however, has eluded direct experimental detection because of its extremely small energy gap due to the weak spin-orbit coupling. Here we predict by ab initio calculations a giant (three orders of magnitude) proximity induced enhancement of the TI energy gap in the graphene layer that is sandwiched between thin slabs of Sb2Te3 (or MoTe2). This gap (1.5 meV) is accessible by existing experimental techniques, and it can be further enhanced by tuning the interlayer distance via compression. We reveal by a tight-binding study that the QSH state in graphene is driven by the Kane-Mele interaction in competition with Kekulé deformation and symmetry breaking. The present work identifies a new family of graphene-based TIs with an observable and controllable bulk energy gap in the graphene layer, thus opening a new avenue for direct verification and exploration of the long-sought QSH effect in graphene.

cond-mat.mes-hall↗

arXiv2014

New Family of Robust 2D Topological Insulators in van der Waals Heterostructures

We predict a new family of robust two-dimensional (2D) topological insulators in van der Waals heterostructures comprising graphene and chalcogenides BiTeX (X=Cl, Br and I). The layered structures of both constituent materials produce a naturally smooth interface that is conducive to proximity induced new topological states. First principles calculations reveal intrinsic topologically nontrivial bulk energy gaps as large as 70-80 meV, which can be further enhanced up to 120 meV by compression. The strong spin-orbit coupling in BiTeX has a significant influence on the graphene Dirac states, resulting in the topologically nontrivial band structure, which is confirmed by calculated nontrivial Z2 index and an explicit demonstration of metallic edge states. Such heterostructures offer an unique Dirac transport system that combines the 2D Dirac states from graphene and 1D Dirac edge states from the topological insulator, and it offers new ideas for innovative device designs.

cond-mat.mtrl-sci↗

arXiv2014

Phosphorene as a superior gas sensor: Selective adsorption and distinct I-V response

Recent reports on the fabrication of phosphorene, i.e., mono- or few-layer black phosphorus, have raised exciting prospects of an outstanding two-dimensional (2D) material that exhibits excellent properties for nanodevice applications. Here we study by first-principles calculations the adsorption of CO, CO2, NH3, NO and NO2 gas molecules on a mono-layer phosphorene. Our results predict superior sensing performance of phosphorene that rivals or even surpasses other 2D materials such as graphene and MoS2. We determine the optimal adsorption positions of these molecules on the phosphorene and identify molecular doping, i.e., charge transfer between the molecules and phosphorene, as the driving mechanism for the high adsorption strength. We further calculated the current-voltage (I-V) relation using a non-equilibrium Greens function (NEGF) formalism. The transport features show large (one to two orders of magnitude) anisotropy along different (armchair or zigzag) directions, which is consistent with the anisotropic electronic band structure of phosphorene. Remarkably, the I-V relation exhibits distinct responses with a marked change of the I-V relation along either the armchair or the zigzag directions depending on the type of molecules. Such selectivity and sensitivity to adsorption makes phosphorene a superior gas sensor that promises wide-ranging applications.

cond-mat.mtrl-sci↗

arXiv2014

Opening Band Gap without Breaking Lattice Symmetry: A New Route toward Robust Graphene-Based Nanoelectronics

Developing graphene-based nanoelectronics hinges on opening a band gap in the electronic structure of graphene, which is commonly achieved by breaking the inversion symmetry of the graphene lattice via an electric field (gate bias) or asymmetric doping of graphene layers. Here we introduce a new design strategy that places a bilayer graphene sheet sandwiched between two cladding layers of materials that possess strong spin-orbit coupling (e.g., Bi2Te3). Our ab initio and tight-binding calculations show that proximity enhanced spin-orbit coupling effect opens a large (44 meV) band gap in bilayer graphene without breaking its lattice symmetry, and the band gap can be effectively tuned by interlayer stacking pattern and significantly enhanced by interlayer compression. The feasibility of this quantum-well structure is demonstrated by recent experimental realization of high-quality heterojunctions between graphene and Bi2Te3, and this design also conforms to existing fabrication techniques in the semiconductor industry. The proposed quantum-well structure is expected to be especially robust since it does not require an external power supply to open and maintain a band gap, and the cladding layers provide protection against environmental degradation of the graphene layer in its device applications.

cond-mat.mtrl-sci↗

arXiv2013

Strain Engineering of Selective Chemical Adsorption on Monolayer MoS_2

Nanomaterials are prone to influence by chemical adsorption because of their large surface to volume ratios. This enables sensitive detection of adsorbed chemical species which, in turn, can tune the property of the host material. Recent studies discovered that single and multilayer molybdenum disulfide (MoS_2) films are ultra sensitive to several important environmental molecules. Here we report new findings from ab initio calculations that reveal substantially enhanced adsorption of NO and NH3 on strained monolyaer MoS2 with significant impact on the properties of the adsorbates and MoS2 layer. The magnetic moment of adsobed NO can be turned between 0 and 1 uB, strain also induces an electronic phase transition between half-metal and metal. Adsorption of NH3 weakens the MoS2 layer considerably, which explains the large discrepacy between the experimentally measured strength and breaking strain of MoS2 film from previous theoretical predictions. On the other hand, adsorption of NO2, CO and CO2 is insensitive to the strain condition in the MoS2 layer. This contrasting behavior allows sensitive strain engineering of selective chemical adsorption on MoS2 with effective tuning of mechanical, electronic and magnetic properties. These result suggest new design strategies for constructing MoS2 based ultrahigh sensitivity nanoscale sensor and electromechanical devices.

cond-mat.mtrl-sci↗

arXiv2013

Graphene-based topological insulator with an intrinsic bulk band gap above room temperature

Topological insulators (TIs) represent a new quantum state of matter characterized by robust gapless states inside the insulating bulk gap. The metallic edge states of a two-dimensional (2D) TI, known as quantum spin Hall (QSH) effect, are immune to backscattering and carry fully spin-polarized dissipationless currents. However, existing 2D TIs realized in HgTe and InAs/GaSb suffer from small bulk gaps (<10 meV) well below room temperature, thus limiting their application in electronic and spintronic devices. Here, we report a new 2D TI comprising a graphene layer sandwiched between two Bi2Se3 slabs that exhibits a large intrinsic bulk band gap of 30 to 50 meV, making it viable for room-temperature applications. Distinct from previous strategies for enhancing the intrinsic spin-orbit coupling effect of the graphene lattice, the present graphene-based TI operates on a new mechanism of strong inversion between graphene Dirac bands and Bi2Se3 conduction bands. Strain engineering leads to effective control and substantial enhancement of the bulk gap. Recently reported synthesis of smooth graphene/Bi2Se3 interfaces demonstrates feasibility of experimental realization of this new 2D TI structure, which holds great promise for nanoscale device applications.

cond-mat.mes-hall↗

arXiv2005

Antiferromagnetic Heisenberg ladders in a staggered magnetic field

We study the low-energy excitations of the spin-1/2 antiferromagnetic Heisenberg chain and $N$-leg ($N$=2, 3, 4) ladders in a staggered magnetic field $h_s$. We show that $h_s$ induces gap and midgap states in all the cases and examine their field scaling behavior. A modified boundary scheme is devised to extract accurate bulk excitation behavior. The gap values converge rapidly as $N$ increases, leading to a field scaling exponent $γ=1/2$ for both the longitudinal and transverse gaps of the square lattice ($N \to \infty$). The midgap states induced by the boundary edge effects share the bulk gap scaling exponents but their overall scaling behavior in the large-N limit needs further investigation.

cond-mat.str-el↗

arXiv2005

Midgap States in Antiferromagnetic Heisenberg Chains with A Staggered Field

We study low-energy excitations in antiferromagnetic Heisenberg chains with a staggered field which splits the spectrum into a longitudinal and a transverse branch. Bound states are found to exist inside the field induced gap in both branches. They originate from the edge effects and are inherent to spin-chain materials. The sine-Gordon scaling $h_s^{2/3}|\log h_s|^{1/6}$ ($h_s$: the staggered field) provides an accurate description for the gap and midgap energies in the transverse branch for $S=1/2$ and the midgap energies in both branches for $S=3/2$ over a wide range of magnetic field; however, it can fit other low-energy excitations only at much lower field. Moreover, the integer-spin S=1 chain displays scaling behavior that does not fit this scaling law. These results reveal intriguing features of magnetic excitations in spin-chain materials that deserve further investigation.

cond-mat.str-el↗

arXiv2003

Transition from band insulator to Mott insulator in one dimension: Critical behavior and phase diagram

We report a systematic study of the transition from a band insulator (BI) to a Mott insulator (MI) in a one-dimensional Hubbard model at half-filling with an on-site Coulomb interaction U and an alternating periodic site potential V. We employ both the zero-temperature density matrix renormalization group (DMRG) method to determine the gap and critical behavior of the system and the finite-temperature transfer matrix renormalization group method to evaluate the thermodynamic properties. We find two critical points at U = $U_c$ and U = $U_s$ that separate the BI and MI phases for a given V. A charge-neutral spin-singlet exciton band develops in the BI phase (U<$U_c$) and drops below the band gap when U exceeds a special point Ue. The exciton gap closes at the first critical point $U_c$ while the charge and spin gaps persist and coincide between $U_c$ $U_s$) the charge gap increases almost linearly with U while the spin gap remains zero. These findings clarify earlier published results on the same model, and offer insights into several important issues regarding an appropriate scaling analysis of DMRG data and a full physical picture of the delicate nature of the phase transitions driven by electron correlation. The present work provides a comprehensive understanding for the critical behavior and phase diagram for the transition from BI to MI in one-dimensional correlated electron systems with a periodic alternating site potential.

cond-mat.str-el↗

arXiv2002

Field-induced gap in the spin-1/2 antiferromagnetic Heisenberg chain: A density matrix renormalization group study

We study the spin-1/2 antiferromagnetic Heisenberg chain in both uniform and (perpendicular) staggered magnetic fields using the density-matrix renormalization-group method. This model has been shown earlier to describe the physics of the copper benzoate materials in magnetic field. In the present work, we extend the study to more general case for a systematic investigation of the field-induced gap and related properties of the spin-1/2 antiferromagnetic Heisenberg chain. In particular, we explore the high magnetic field regime where interesting behaviors in the field-induced gap, magnetization, and spin correlation functions are found. Careful examination of the low energy properties and magnetization reveals interesting competing effects of the staggered and uniform fields. The incommensurate behavior in the spin correlation functions is demonstrated and discussed in detail. The present work reproduces earlier results in good agreement with experimental data on copper benzoate and predicts new interesting field-induced features at very high magnetic field.

cond-mat.str-el↗

arXiv2001

Low-energy properties and magnetization plateaus in a 2-leg mixed spin ladder

Using the density matrix renormalization group technique we investigate the low-energy properties and the magnetization plateau behavior in a 2-leg mixed spin ladder consisting of a spin-1/2 chain coupled with a spin-1 chain. The calculated results show that the system is in the same universality class as the spin-3/2 chain when the interchain coupling is strongly ferromagnetic, but the similarity between the two systems is less clear under other coupling conditions. We have identified two types of magnetization plateau phases. The calculation of the magnetization distribution on the spin-1/2 and the spin-1 chains on the ladder shows that one plateau phase is related to the partially magnetized valence-bond-solid state, and the other plateau state contains strongly coupled S=1 and s=1/2 spins on the rung.

cond-mat.str-el↗