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CN 11-5639/O4
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General principles to high-throughput constructing two-dimensional carbon allotropes Hot!

Qing Xie(谢庆), Lei Wang(王磊), Jiangxu Li(李江旭), Ronghan Li(李荣汉), Xing-Qiu Chen(陈星秋)
Chin. Phys. B, 2020, 29 (3): 037306 doi: 10.1088/1674-1056/ab6c4b
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We propose general principles to construct two-dimensional (2D) single-atom-thick carbon allotropes. They can be viewed as the generalization of patterning Stone-Walse defects (SWDs) by manipulating bond rotation and of patterning inverse SWDs by adding (or removing) carbon pairs on the pristine graphene, respectively. With these principles, numerous 2D allotropes of carbon can be systematically constructed. Using 20 constructed 2D allotropes as prototypical and benchmark examples, besides nicely reproducing all well-known ones, such as pentaheptites, T-graphene, OPGs, etc, we still discover 13 new allotropes. Their structural, thermodynamic, dynamical, and electronic properties are calculated by means of first-principles calculations. All these allotropes are metastable in energy compared with that of graphene and, except for OPG-A and C3-10-H allotropes, the other phonon spectra of 18 selected allotropes are dynamically stable. In particular, the proposed C3-11 allotrope is energetically favorable than graphene when the temperature is increased up to 1043 K according to the derived free energies. The electronic band structures demonstrate that (i) the C3-8 allotrope is a semiconductor with an indirect DFT band gap of 1.04 eV, (ii) another unusual allotrope is C3-12 which exhibits a highly flat band just crossing the Fermi level, (iii) four allotropes are Dirac semimetals with the appearance of Dirac cones at the Fermi level in the lattices without hexagonal symmetry, and (vi) without the spin-orbit coupling (SOC) effect, the hexagonal C3-11 allotrope exhibits two Dirac cones at K and K' points in its Brillouin zone in similarity with graphene.

Tailoring electronic properties of two-dimensional antimonene with isoelectronic counterparts Hot!

Ye Zhang(张也), Huai-Hong Guo(郭怀红), Bao-Juan Dong(董宝娟), Zhen Zhu(朱震), Teng Yang(杨腾), Ji-Zhang Wang(王吉章), Zhi-Dong Zhang(张志东)
Chin. Phys. B, 2020, 29 (3): 037305 doi: 10.1088/1674-1056/ab6c4e
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Using ab initio density functional theory calculations, we explore the three most stable structural phases, namely, α, β, and cubic (c) phases, of two-dimensional (2D) antimonene, as well as its isoelectronic counterparts SnTe and InI. We find that the band gap increases monotonically from Sb to SnTe to InI along with an increase in ionicity, independent of the structural phases. The band gaps of this material family cover the entire visible-light energy spectrum, ranging from 0.26 eV to 3.37 eV, rendering them promising candidates for optoelectronic applications. Meanwhile, band-edge positions of these materials are explored and all three types of band alignments can be achieved through properly combining antimonene with its isoelectronic counterparts to form heterostructures. The richness in electronic properties for this isoelectronic material family sheds light on possibilities to tailor the fundamental band gap of antimonene via lateral alloying or forming vertical heterostructures.

Synthesis, structure, and properties of Ba9Co3Se15 with one-dimensional spin chains Hot!

Lei Duan(段磊), Xian-Cheng Wang(望贤成), Jun Zhang(张俊), Jian-Fa Zhao(赵建发), Li-Peng Cao(曹立朋), Wen-Min Li(李文敏), Run-Ze Yu(于润泽), Zheng Deng(邓正), Chang-Qing Jin(靳常青)
Chin. Phys. B, 2020, 29 (3): 036102 doi: 10.1088/1674-1056/ab69ea
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A new compound with one-dimensional spin chains, Ba9Co3Se15, was synthesized under high pressure and high temperature conditions and systematically characterized via structural, transport and magnetic measurements. Ba9Co3Se15 crystallizes in a hexagonal structure with the space group P-6c2 (No. 188) and lattice constants of a =b = 9.6765 Å and c = 18.9562 Å. The structure consists of trimeric face-sharing octahedral CoSe6 chains, which are arranged in a triangular lattice in the ab-plane and separated by Ba atoms. The distance of the nearest neighbor of CoSe6 chains is very large, given by the lattice constant a= 9.6765 Å. The Weiss temperature Tθ associated with the intra-chain coupling strength is about -346 K. However, no long-range magnetic order but a spin glass transition at ~3 K has been observed. Our results indicate that the spin glass behavior in Ba9Co3Se15 mainly arises from the magnetic frustration due to the geometrically frustrated triangular lattice.

An Yb-fiber frequency comb phase-locked to microwave standard and optical reference Hot!

Hui-Bo Wang(汪会波), Hai-Nian Han(韩海年), Zi-Yue Zhang(张子越), Xiao-Dong Shao(邵晓东), Jiang-Feng Zhu(朱江峰), Zhi-Yi Wei(魏志义)
Chin. Phys. B, 2020, 29 (3): 030601 doi: 10.1088/1674-1056/ab696d
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We present a fully stabilized Yb-fiber frequency comb locked to a microwave standard and an optical reference separately. The carrier-envelope offset frequency is generated by a standard f-2f interferometer with 40 dB signal-to-noise ratio. The offset frequency and the repetition rate are stabilized simultaneously to the radio frequency reference for more than 30 hours, and the fractional Allan deviation of the comb is the same as the microwave standard of 10-12 at 1 s. Alternatively, the comb is locked to an ultra-stable optical reference at 972 nm using an intracavity electro-optic modulator, exhibiting a residual integrated phase noise of 458 mrad (1 Hz-10 MHz) and an in-loop tracking stability of 1.77×10-18 at 1 s, which is significantly raised by six orders comparing to the case locked to the microwave frequency standard.

Triphenylene adsorption on Cu(111) and relevant graphene self-assembly Hot!

Qiao-Yue Chen(陈乔悦), Jun-Jie Song(宋俊杰), Liwei Jing(井立威), Kaikai Huang(黄凯凯), Pimo He(何丕模), Hanjie Zhang(张寒洁)
Chin. Phys. B, 2020, 29 (2): 026801 doi: 10.1088/1674-1056/ab6583
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Investigations on adsorption behavior of triphenylene (TP) and subsequent graphene self-assembly on Cu(111) were carried out mainly by using scanning tunneling microscopy (STM). At monolayer coverage, TP molecules formed a long-range ordered adsorption structure on Cu(111) with an uniform orientation. Graphene self-assembly on the Cu(111) substrate with TP molecules as precursor was achieved by annealing the sample, and a large-scale graphene overlayer was successfully captured after the sample annealing up to 1000 K. Three different Moiré patterns generated from relative rotational disorders between the graphene overlayer and the Cu(111) substrate were observed, one with 4° rotation between the graphene overlayer and the Cu(111) substrate with a periodicity of 2.93 nm, another with 7° rotation and 2.15 nm of the size of the Moiré supercell, and the third with 10° rotation with a periodicity of 1.35 nm.

Theoretical analysis of the coupling between Feshbach states and hyperfine excited states in the creation of 23Na40K molecule Hot!

Ya-Xiong Liu(刘亚雄), Bo Zhao(赵博)
Chin. Phys. B, 2020, 29 (2): 023103 doi: 10.1088/1674-1056/ab6314
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We present an intensive study of the coupling between different Feshbach states and the hyperfine levels of the excited states in the adiabatic creation of 23Na40K ground-state molecules. We use coupled-channel method to calculate the wave function of the Feshbach molecules, and give the short-range wave function of triplet component. The energies of the hyperfine excited states and the coupling strength between the Feshbach states and the hyperfine excited states are calculated. Our results can be used to prepare a specific hyperfine level of the rovibrational ground state to study the ultracold collisions involving molecules.

Breakdown voltage enhancement in GaN channel and AlGaN channel HEMTs using large gate metal height Hot!

Zhong-Xu Wang(王中旭), Lin Du(杜林), Jun-Wei Liu(刘俊伟), Ying Wang(王颖), Yun Jiang(江芸), Si-Wei Ji(季思蔚), Shi-Wei Dong(董士伟), Wei-Wei Chen(陈伟伟), Xiao-Hong Tan(谭骁洪), Jin-Long Li(李金龙), Xiao-Jun Li(李小军), Sheng-Lei Zhao(赵胜雷), Jin-Cheng Zhang(张进成), Yue Hao(郝跃)
Chin. Phys. B, 2020, 29 (2): 027301 doi: 10.1088/1674-1056/ab5fb9
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A large gate metal height technique is proposed to enhance breakdown voltage in GaN channel and AlGaN channel high-electron-mobility-transistors (HEMTs). For GaN channel HEMTs with gate-drain spacing LGD=2.5 μm, the breakdown voltage VBR increases from 518 V to 582 V by increasing gate metal height h from 0.2 μm to 0.4 μm. For GaN channel HEMTs with LGD=7 μm, VBR increases from 953 V to 1310 V by increasing h from 0.8 μm to 1.6 μm. The breakdown voltage enhancement results from the increase of the gate sidewall capacitance and depletion region extension. For Al0.4Ga0.6N channel HEMT with LGD=7 μm, VBR increases from 1535 V to 1763 V by increasing h from 0.8 μm to 1.6 μm, resulting in a high average breakdown electric field of 2.51 MV/cm. Simulation and analysis indicate that the high gate metal height is an effective method to enhance breakdown voltage in GaN-based HEMTs, and this method can be utilized in all the lateral semiconductor devices.

Surface Majorana flat bands in j=3/2 superconductors with singlet-quintet mixing Hot!

Jiabin Yu(于家斌), Chao-Xing Liu(刘朝星)
Chin. Phys. B, 2020, 29 (1): 017402 doi: 10.1088/1674-1056/ab5b89
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Recent experiments[Science Advances 4 eaao4513 (2018)] have revealed the evidence of nodal-line superconductivity in half-Heusler superconductors, e.g., YPtBi. Theories have suggested the topological nature of such nodal-line superconductivity and proposed the existence of surface Majorana flat bands on the (111) surface of half-Heusler superconductors. Due to the divergent density of states of the surface Majorana flat bands, the surface order parameter and the surface impurity play essential roles in determining the surface properties. We study the effect of the surface order parameter and the surface impurity on the surface Majorana flat bands of half-Heusler superconductors based on the Luttinger model. To be specific, we consider the topological nodal-line superconducting phase induced by the singlet-quintet pairing mixing, classify all the possible translationally invariant order parameters for the surface states according to irreducible representations of C3v point group, and demonstrate that any energetically favorable order parameter needs to break the time-reversal symmetry. We further discuss the energy splitting in the energy spectrum of surface Majorana flat bands induced by different order parameters and non-magnetic or magnetic impurities. We propose that the splitting in the energy spectrum can serve as the fingerprint of the pairing symmetry and mean-field order parameters. Our theoretical prediction can be examined in the future scanning tunneling microscopy experiments.

Giant topological Hall effect of ferromagnetic kagome metal Fe3Sn2 Hot!

Qi Wang(王琦), Qiangwei Yin(殷蔷薇), Hechang Lei(雷和畅)
Chin. Phys. B, 2020, 29 (1): 017101 doi: 10.1088/1674-1056/ab5fbc
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We present the experiment observation of a giant topological Hall effect (THE) in a frustrated kagome bilayer magnet Fe3Sn2. The negative topologically Hall resistivity appears when the field is below 1.3 T and it increases with increasing temperature up to 300 K. Its maximum absolute value reaches ~2.01 μΩ·cm at 300 K and 0.76 T. The origins of the observed giant THE can be attributed to the coexistence of the field-induced skyrmion state and the non-collinear spin configuration, possibly related to the magnetic frustration interaction in Fe3Sn2.

Benchmarking PBE+D3 and SCAN+rVV10 methods using potential energy surfaces generated with MP2+ ΔCCSD(T) calculation Hot!

Jie Chen(陈劼), Weiyu Xie(谢炜宇), Kaihang Li(李开航), Shengbai Zhang(张绳百), Yi-Yang Sun(孙宜阳)
Chin. Phys. B, 2020, 29 (1): 013102 doi: 10.1088/1674-1056/ab5fbb
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We develop a benchmark system for van der Waals interactions obtained with MP2+ΔCCSD(T) method at complete basis set limit. With this benchmark, we examine the widely used PBE+D3 method and recently developed SCAN+rVV10 method for density functional theory calculations. Our benchmark is based on two molecules:glycine (or Gly, an amino acid) and uracil (or U, an RNA base). We consider six dimer configurations of the two monomers and their potential energy surfaces as a function of relative distance and rotation angle. The Gly-Gly, Gly-U, and U-U pairs represent London dispersion, hydrogen bonding, and π-π stacking interactions, respectively. Our results show that both PBE+D3 and SCAN+rVV10 methods can yield accuracy better than 1 kcal/mol, except for the cases when the distance between the two monomers is significantly smaller than the equilibrium distance. In such a case, neither of these methods can yield uniformly accurate results for all the configurations. In addition, it is found that the SCAN and SCAN+rVV10 methods can reproduce some subtle features in a rotational potential energy curve, while the PBE, PBE+D3, and the local density approximation fail.

Quantum intelligence on protein folding pathways Hot!

Wen-Wen Mao(毛雯雯), Li-Hua Lv(吕丽花), Yong-Yun Ji(季永运), You-Quan Li(李有泉)
Chin. Phys. B, 2020, 29 (1): 018702 doi: 10.1088/1674-1056/ab5fbe
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We study the protein folding problem on the base of our quantum approach by considering the model of protein chain with nine amino-acid residues. We introduce the concept of distance space and its projections on a XY-plane, and two characteristic quantities, one is called compactness of protein structure and another is called probability ratio involving shortest path. The concept of shortest path enables us to reduce the 388×388 density matrix to a 2×2 one from which the von Neumann entropy reflecting certain quantum coherence feature is naturally defined. We observe the time evolution of average distance and compactness solved from the classical random walk and quantum walk, we also compare the features of the time-dependence of Shannon entropy and von Neumann entropy. All the results not only reveal the fast quantum folding time but also unveil the existence of quantum intelligence hidden behind in choosing protein folding pathways.

Visualization of tunnel magnetoresistance effect in single manganite nanowires Hot!

Yang Yu(郁扬), Wenjie Hu(胡雯婕), Qiang Li(李强), Qian Shi(时倩), Yinyan Zhu(朱银燕), Hanxuan Lin(林汉轩), Tian Miao(苗田), Yu Bai(白羽), Yanmei Wang(王艳梅), Wenting Yang(杨文婷), Wenbin Wang(王文彬), Hangwen Guo(郭杭闻), Lifeng Yin(殷立峰), Jian Shen(沈健)
Chin. Phys. B, 2020, 29 (1): 018501 doi: 10.1088/1674-1056/ab5932
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We reported a study of tunnel magnetoresistance (TMR) effect in single manganite nanowire via the combination of magnetotransport and magnetic force microscopy imaging. TMR value up to 290% has been observed in single (La1-yPry)1-xCaxMnO3 nanowires with varying width. We find that the TMR effect can be explained in the scenario of opening and blockade of conducting channels from inherent magnetic domain evolutions. Our findings provide a new route to fabricate TMR junctions and point towards future improvements in complex oxide-based TMR spintronics.

Epitaxial growth and air-stability of monolayer Cu2Te Hot!

K Qian(钱凯), L Gao(高蕾), H Li(李航), S Zhang(张帅), J H Yan(严佳浩), C Liu(刘晨), J O Wang(王嘉鸥), T Qian(钱天), H Ding(丁洪), Y Y Zhang(张余洋), X Lin(林晓), S X Du(杜世萱), H-J Gao(高鸿钧)
Chin. Phys. B, 2020, 29 (1): 018104 doi: 10.1088/1674-1056/ab5781
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A new two-dimensional atomic crystal, monolayer cuprous telluride (Cu2Te) has been fabricated on a graphene-SiC(0001) substrate by molecular beam epitaxy (MBE). The low-energy electron diffraction (LEED) characterization shows that the monolayer Cu2Te forms a √3×√3 superstructure with respect to the graphene substrate. The atomic structure of the monolayer Cu2Te is investigated through a combination of scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations. The stoichiometry of the Cu2Te sample is verified by x-ray photoelectron spectroscopy (XPS) measurement. The angle-resolved photoemission spectroscopy (ARPES) data present the electronic band structure of the sample, which is in good agreement with the calculated results. Furthermore, air-exposure experiments reveal the chemical stability of the monolayer Cu2Te. The fabrication of this new 2D material with a particular structure may bring new physical properties for future applications.

A novel particle tracking velocimetry method for complex granular flow field Hot!

Bi-De Wang(王必得), Jian Song(宋健), Ran Li(李然), Ren Han(韩韧), Gang Zheng(郑刚), Hui Yang(杨晖)
Chin. Phys. B, 2020, 29 (1): 014207 doi: 10.1088/1674-1056/ab5936
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Particle tracking velocimetry (PTV) is one of the most commonly applied granular flow velocity measurement methods. However, traditional PTV methods may have issues such as high mismatching rates and a narrow measurement range when measuring granular flows with large bulk density and high-speed contrast. In this study, a novel PTV method is introduced to solve these problems using an optical flow matching algorithm with two further processing steps. The first step involves displacement correction, which is used to solve the mismatching problem in the case of high stacking density. The other step is trajectory splicing, which is used to solve the problem of a measurement range reduction in the case of high-speed contrast The hopper flow experimental results demonstrate superior performance of this proposed method in controlling the number of mismatched particles and better measuring efficiency in comparison with the traditional PTV method.

Improved performance of back-gate MoS2 transistors by NH3-plasma treating high-k gate dielectrics Hot!

Jian-Ying Chen(陈建颖), Xin-Yuan Zhao(赵心愿), Lu Liu(刘璐), Jing-Ping Xu(徐静平)
Chin. Phys. B, 2019, 28 (12): 128101 doi: 10.1088/1674-1056/ab50fe
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NH3-plasma treatment is used to improve the quality of the gate dielectric and interface. Al2O3 is adopted as a buffer layer between HfO2 and MoS2 to decrease the interface-state density. Four groups of MOS capacitors and back-gate transistors with different gate dielectrics are fabricated and their C-V and I-V characteristics are compared. It is found that the Al2O3/HfO2 back-gate transistor with NH3-plasma treatment shows the best electrical performance:high on-off current ratio of 1.53×107, higher field-effect mobility of 26.51 cm2/V…, and lower subthreshold swing of 145 mV/dec. These are attributed to the improvements of the gate dielectric and interface qualities by the NH3-plasma treatment and the addition of Al2O3 as a buffer layer.

Coulomb-dominated oscillations in a graphene quantum Hall Fabry-Pérot interferometer Hot!

Guan-Qun Zhang(张冠群), Li Lin(林立), Hailin Peng(彭海琳), Zhongfan Liu(刘忠范), Ning Kang(康宁), Hong-Qi Xu(徐洪起)
Chin. Phys. B, 2019, 28 (12): 127203 doi: 10.1088/1674-1056/ab55d3
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The electronic Fabry-Pérot interferometer operating in the quantum Hall regime may be a promising tool for probing edge state interferences and studying the non-Abelian statistics of fractionally charged quasiparticles. Here we report on realizing a quantum Hall Fabry-Pérot interferometer based on monolayer graphene. We observe resistance oscillations as a function of perpendicular magnetic field and gate voltage both on the electron and hole sides. Their Coulomb-dominated origin is revealed by the positive (negative) slope of the constant phase lines in the plane of magnetic field and gate voltage on the electron (hole) side. Our work demonstrates that the graphene interferometer is feasible and paves the way for the studies of edge state interferences since high-Landau-level and even denominator fractional quantum Hall states have been found in graphene.

Optimal phase estimation with photon-number difference measurement using twin-Fock states of light Hot!

J H Xu(徐佳慧), J Z Wang(王建中), A X Chen(陈爱喜), Y Li(李勇), G R Jin(金光日)
Chin. Phys. B, 2019, 28 (12): 120303 doi: 10.1088/1674-1056/ab4e7f
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Quantum phase measurement with multiphoton twin-Fock states has been shown to be optimal for detecting equal numbers of photons at the output ports of a Mach-Zehnder interferometer (i.e., the so-called single-fringe detection), since the phase sensitivity can saturate the quantum Cramér-Rao lower bound at certain values of phase shift. Here we report a further step to achieve a global phase estimation at the Heisenberg limit by detecting the particle-number difference (i.e., the Ĵz measurement). We show the role of experimental imperfections on the ultimate estimation precision with the six-photon twin-Fock state of light. Our results show that both the precision and the sensing region of the Ĵz measurement are better than those of the single-fringe detection, due to combined contributions of the measurement outcomes. We numerically simulate the phase estimation protocol using an asymptotically unbiased maximum likelihood estimator.

High performance silicon-based GeSn p-i-n photodetectors for short-wave infrared application Hot!

Yue Zhao(赵越), Nan Wang(王楠), Kai Yu(余凯), Xiaoming Zhang(张晓明), Xiuli Li(李秀丽), Jun Zheng(郑军), Chunlai Xue(薛春来), Buwen Cheng(成步文), Chuanbo Li(李传波)
Chin. Phys. B, 2019, 28 (12): 128501 doi: 10.1088/1674-1056/ab4e84
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An investigation of germanium-tin (GeSn) on silicon p-i-n photodetectors with a high-quality Ge0.94Sn0.06 absorbing layer is reported. The GeSn photodetector reached a responsivity as high as 0.45 A/W at the wavelength of 1550 nm and 0.12 A/W at the wavelength of 2 μm. A cycle annealing technology was applied to improve the quality of the epitaxial layer during the growth process by molecular beam epitaxy. A low dark-current density under 1 V reverse bias about 0.078 A/cm2 was achieved at room temperature. Furthermore, the GeSn photodetector could detect a wide spectrum region and the cutoff wavelength reached to about 2.3 μm. This work has great importance in silicon-based short-wave infrared detection.

Different behavior of upper critical field in Fe1-xSe single crystals Hot!

Shunli Ni(倪顺利), Wei Hu(胡卫), Peipei Shen(沈沛沛), Zhongxu Wei(魏忠旭), Shaobo Liu(刘少博), Dong Li(李栋), Jie Yuan(袁洁), Li Yu(俞理), Kui Jin(金魁), Fang Zhou(周放), Xiaoli Dong(董晓莉), Zhongxian Zhao(赵忠贤)
Chin. Phys. B, 2019, 28 (12): 127401 doi: 10.1088/1674-1056/ab50b4
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The temperature dependences of upper critical field (Hc2) for a series of iron-deficient Fe1-xSe single crystals are obtained from the measurements of in-plane resistivity in magnetic fields up to 9 T and perpendicular to the ab plane. For the samples with lower superconducting transition temperature Tc (<7.2 K), the temperature dependence of Hc2 is appropriately described by an effective two-band model. For the samples with higher Tc (≥7.2 K), the temperature dependence can also be fitted by a single-band Werthamer-Helfand-Hohenberg formula, besides the two-band model. Such a Tc-dependent change in Hc2(T) behavior is discussed in connection with recent related experimental results, showing an inherent link between the changes of intrinsic superconducting and normal state properties in the FeSe system.

Influence of matrigel on the shape and dynamics of cancer cells Hot!

Teng Ye(叶腾), Feng Qiu(邱峰)
Chin. Phys. B, 2019, 28 (10): 108704 doi: 10.1088/1674-1056/ab4275
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The interaction between extracellular matrices and cancer cells plays an important role in regulating cancer cell behaviors. In this article, we use matrigel to mimic extracellular matrices and investigate experimentally how matrigel influences the shape and dynamics of breast cancer cells (MDA-MB-231-GFP cells). We find that matrigel facilitates cancer cells' migration and shape deformation. The influences of the matrigel concentration are also reported.

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