Using first-principles calculation methods, we reveal a series of phase transitions as a function of electron doping in single-layer 1T$'$-MoTe$_2$ and 1T$'$-WTe$_2$ exhibiting quantum spin Hall (QSH) edge states without doping. As increasing doping, we show that a phonon mediated superconducting phase first realizes and is followed by a charge density wave (CDW) phase with a nonsymmorphic lattice symmetry. The newly found CDW phase exhibits Dirac or Weyl energy bands with a spin-orbit coupling in case of a fractional band filling and re-enters into topological insulating phase with fully filled bands. The robust resurgence of QSH state coexisting with the CDW phase is shown to originate from band inversions induced by the nonsymmorphic lattice distortion through the strong electron-phonon interaction, thus suggesting a realization of various interfacial states between superconducting, density wave and topological states on a two-dimensional crystal only by doping.
The ground state properties of the ferromagnetic shape memory alloy of nominal composition Ni2Mn1.36Sn0.64 have been studied by dc magnetization and ac susceptibility measurements. Like few other Ni-Mn based alloys, this sample exhibits exchange bias phenomenon. The observed exchange bias pinning was found to originate right from the temperature where a step-like anomaly is present in the zero-field-cooled magnetization data. The ac susceptibility study indicates the onset of spin glass freezing near this step-like anomaly with clear frequency shift. The sample can be identified as a reentrant…
We report a synchrotron x-ray scattering study of the diluted spin-Peierls (SP) material Cu_{1-x}Mg_xGeO_3. In a recent paper we have shown that the SP dimerization attains long-range order only for x < x_c = 0.022(0.001). Here we report that the SP transition is reentrant in the vicinity of the critical concentration x_c. This is manifested by broadening of the SP dimerization superlattice peaks below the reentrance temperature, T_r, which may mean either the complete loss of the long-range SP order or the development of a short-range ordered component within the long-range ordered SP state. …
We compute the valley/magnetic phase diagram of mono layers of transition metal dichalcogenides in the hole doped region where spin-orbit effects are particularly relevant. Taking into account the moderate to high local electron-electron interactions due to the presence of transition metal atoms, we show that the system is unstable to an itinerant ferromagnetic phase where all charge carriers are spin and valley polarized. This phase shows an anomalous charge Hall and anomalous spin-Hall response, and may thus be detected experimentally.
We study the electronic structure of hole-doped transition metal dichalcogenides for small twist-angels, where the onsite repulsion is extremely strong. Using unbiased diagrammatic Monte Carlo simulations, we find evidence for magnetic correlations which are driven by delocalization and can be controlled in situ via the dielectric environment. For weak spin-orbit coupling, we find that the moderately doped system becomes anti-ferromagnetic, whilst the regime of strong spin-orbit coupling features ferromagnetic correlations. We show that this behavior is accurately predicted by an analytical th…
We present a study on the modification of the electronic structure and hole-doping effect for the layered dichalcogenide WSe_2 with a multi-valley band structure, where Ta is doped on the W site along with a partial substitution of Te for its lighter counterpart Se. By means of band-structure calculations and specific-heat measurements, the introduction of Te is theoretically and experimentally found to change the electronic states in WSe_2. While in WSe_2 the valence-band maximum is located at the Gamma point, the introduction of Te raises the bands at the K point with respect to the Gamma po…
We have performed local STM studies on potassium-doped C60 (KxC60) monolayers over a wide regime of the phase diagram. As K content increases from x = 3 to 5, KxC60 monolayers undergo metal-insulator-metal reentrant phase transitions and exhibit a variety of novel orientational orderings. The most striking new structure has a pinwheel-like 7-molecule unit cell in insulating K4+dC60. We propose that the driving mechanism for the orientational ordering in KxC60 is the lowering of electron kinetic energy through maximization of the overlap of neighboring molecular orbitals over the entire doping …
The magnetization in a lightly doped La$_{2-x}$Sr$_x$CuO$_4$ ($x=0.018$) single crystal was measured. Spin-flop transition was clearly observed in the hole doped antiferromagnetically ordered state under increasing magnetic fields perpendicular to the CuO$_2$ plane. In the spin-glass phase below 25K, the spin-flop transition becomes broad but the step in the magnetization curve associated with the transition remains finite at the lowest temperature. We show in this report that, at low temperature, the homogeneous antiferromagnetic order is disturbed by the re-distribution of holes, and that th…
We use a variational technique to study the many-body phase diagram of electrons and holes in $n$-doped and $p$-doped monolayer transition metal dichalcogenides (TMDs). We find a total of four different phases. $i$) A fully spin polarized and valley polarized ferromagnetic state. $ii$) A state with no global spin polarization but with spin polarization in each valley separately, i.e. spin-valley locking. $iii$) A state with spin polarization in one of the valleys and little to no spin polarization in the other valley. $iv$) A paramagnetic state with no valley polarization. These phases are sep…
We report an interesting reentrant metallic resistivity pattern beyond a characteristic temperature T* which is higher than other such characteristic transition temperatures like T(c)(Curie point), T(N) (Neel point), T(CO) (charge order onset point) or T(OO) (orbital order onset point) in a range of rare-erath perovskite manganites (RE(1-x)A(x)MnO(3); RE = La, Nd, Y; A = Sr, Ca; x = 0.0-0.5). Such a behavior is normally observed in doped manganites with doping level (x) higher than the critical doping level x(c) (= 0.17-0.22) required for the metallic ground state to emerge and hence in a syst…
Recent experiments in Pr(Nd)$_{0.5}$Ca$_{0.5}$MnO$_3$ thin films exhibited (multiple) reentrant charge ordering (CO) transitions with change of {\it temperature} T under fixed magnetic field H, which are in contrast to the results for the corresponding bulk materials. To explain the experimental findings, a model including the double-exchange mechanism, intersite Coulomb interaction and electron-phonon coupling is proposed, for which the reentrant CO is naturally obtained due to the temperature dependence of the band-type coherent polaron hopping. Various results for the CO in the (H, T) plane…
Theoretically it has been known that breaking spin-degeneracy and effectively realizing 'spinless fermions' is a promising path to topological superconductors. Yet, topological superconductors are rare to date. Here, we propose to realize spinless fermions by splitting the spin-degeneracy in momentum space. Specifically, we identify monolayer hole-doped transition metal dichalcogenide (TMD)s as candidates for topological superconductors out of such momentum-space-split spinless fermions. Although electron-doped TMDs have recently been found superconducting, the observed superconductivity is un…
A chemical avenue to manipulate field-reentrant superconducting rivalries in infinite layer nickelates
University of Science and Technology Beijing（北京科技大学）；Beijing Normal University（北京师范大学）；Anhui University（安徽大学）；Center for High Pressure Science and Technology Advanced Research（高压科学与技术先进研究中心）；Institute for Shanghai Advanced Research in Physical Sciences (SHARPS)（上海物理科学前沿研究院）；Chinese Academy of Sciences（中国科学院）；North China Electric Power University（华北电力大学）；East China Normal University（华东师范大学）；PSI Center for Neutron and Muon Sciences（瑞士保罗谢勒研究所中子与缪子科学中心）
We study the superconducting pairing instabilities and gap functions for prototypical two-dimensional (2D) transition-metal dichalcogenides (TMDCs) WS$_2$, MoTe$_2$, and MoS$_2$ in the 2H phase under both hole and electron doping at 10 K. Our first-principles quantum many-body Green's function approach allows us to treat the full $d$ and $p$ manifold of orbitals with strong spin-orbit coupling, yielding pairing predictions with material specific detail. The resulting gap functions exhibit a variety of mixed-parity superconducting states, including $s$, $p$, $d$, $f$, $d\pm id$, and $p\pm ip$ p…
We report experimental and theoretical evidence of strong electron-plasmon interaction in n-doped single-layer MoS2. Angle-resolved photoemission spectroscopy (ARPES) measurements reveal the emergence of distinctive signatures of polaronic coupling in the electron spectral function. Calculations based on many-body perturbation theory illustrate that electronic coupling to two-dimensional (2D) carrier plasmons provides an exhaustive explanation of the experimental spectral features and their energies. These results constitute compelling evidence of the formation of plasmon-induced polaronic qua…
The first order antiferromagnetic (AFM) to ferromagnetic (FM) transition in the functional material Fe49(Rh0.93Pd0.07)51 has been studied at low temperatures and high magnetic fields. We have addressed the non-monotonic variation of lower critical field required for FM to AFM transition. It is shown that critically slow dynamics of the transition dominates below 50 K. At low temperature and high magnetic field, state of the system depends on the measurement history resulting in tunable coexistence of AFM and FM phases. By following cooling and heating in unequal magnetic field (CHUF) protocol …
Charged excitons (trions) are essential for the optical spectra in low dimensional doped monolayers (ML) of transitional metal dichalcogenides (TMDC). Using a direct diagonalization of the three-body Hamiltonian, we explore the low-lying trion states in four types of TMDC MLs. We show that the trions fine structure results from the interplay between the spin-valley fine structure of the single-particle bands and the exchange interaction between the composing particles. We demonstrate that by variations of the doping and dielectric environment, trion energy fine structure can be tuned, leading …
The Hall resistivity, magnetoresistance, and magnetization of La_{1-x}Ca_{x}CoO_{3} epitaxial films with x between 0.25 and 0.4 grown on lanthanum aluminate were measured in fields up to 7 T. The x=1/3 film, shows a reentrant metal insulator transition. Below 100 K, the x=1/3 and 0.4 films have significant coercivity which increases with decreasing temperature. At low temperature the Hall resistivity remains large and essentially field independent in these films, except for a sign change at the coercive field that is more abrupt than the switching of the magnetization. A unique magnetoresistan…
The observation of flat energy bands in transition metal dichalcogenide bilayers such as twisted WSe${}_2$ makes those materials interesting prospects for reproducing the behavior observed in graphene-based systems. We use an effective Hubbard model providing a description of twisted WSe${}_2$ to explore the presence of superconductivity, which was previously reported in experiments. Using both the variational cluster approximation and cluster dynamical mean-field theory, we predict the existence of chiral supercondictivity of type $d\pm id$ that can be tuned by the twist angle and by the appl…
We have investigated the Cr-doping effect of Nd0.375Sr0.625MnO3 near the phase boundary between the x2-y2 and 3z2-r2 orbital ordered states, where a ferromagnetic correlation and concomitant large magnetoresistance are observed owing to orbital fluctuation. Cr-doping steeply suppresses the ferromagnetic correlation and magnetoresistance in Nd0.375Sr0.625Mn1-yCryO3 with 0 < y < 0.05, while they reappear in 0.05 < y < 0.10. Such a reentrant behavior implies that a phase boundary is located at y = 0.05, or a phase crossover occurs across y = 0.05.
Competing incommensurability, electronic correlations, and superconductivity in a hybrid transition metal dichalcogenide
Weizmann Institute of Science（魏茨曼科学研究所）；University of Hamburg（汉堡大学）；Bar Ilan University（巴伊兰大学）；The Pennsylvania State University（宾夕法尼亚州立大学）；Technion - Israel Institute of Technology（以色列理工学院）；Goethe Universität Frankfurt（法兰克福歌德大学）
We present the discovery of a charge density wave (CDW) ground state in heavily electron-doped molybdenum disulfide (MoS$_2$). This is the first observation of a CDW in any $d^2$ (column 6) transition metal dichalcogenide (TMD). The band structure of MoS$_2$ is distinct from the $d^0$ and $d^1$ TMDs in which CDWs have been previously observed, facilitating new insight into CDW formation. We demonstrate a metal-insulator transition at 85 K, a 25 meV gap at the Fermi level, and two distinct CDW modulations, $(2\sqrt{3}\times2\sqrt{3})$R$30^\circ$ and $2\times2$, attributable to Fermi surface nes…
We analyze magnetic phases of monolayers of transition metal dichalcogenides that are two-valley materials with electron-electron interactions. The exchange inter-valley scattering makes two-valley systems less stable to the spin fluctuations but more stable to the valley fluctuations. We predict a first order ferromagnetic phase transition governed by the non-analytic and negative cubic term in the free energy that results in a large spontaneous spin magnetization. Finite spin-orbit interaction leads to the out-of-plane Ising order of the ferromagnetic phase. Our theoretical prediction is con…
Systems with strong spin orbit coupling support a number of new phases of matter and novel phenomena. This work focuses on the interplay of spin orbit coupling and interactions in yielding correlated phenomena in two dimensional transition metal dichalcogenides. In particular we explore the physics of Kondo screening resulting from the lack of centro-symmetry, large spin splitting and spin valley locking in hole doped systems. The key ingredients are i) valley dependent spin-momentum locking perpendicular to the two dimensional crystal; ii) single nondegenerate Fermi surface per valley, and ii…
A systematic study of thermomagnetic irreversibility CoS$_{1.76}$Se$_{0.24}$ has been carried out. Our study shows that the resistivity at low temperature can be tuned by cooling in different magnetic fields and the critical field required for paramagnetic (PM) to ferromagnetic (FM) transition varies non-monotonically with temperature. The field induced PM to FM transition results in giant positive magnetoresistance (MR) of about 160\% at 5 K. Measurements under CHUF (cooling and heating in unequal magnetic field) protocol show reentrant transition on warming under higher magnetic field (than …
We investigate the spin relaxation and Kondo resistivity caused by magnetic impurities in doped transition metal dichalcogenides monolayers. We show that momentum and spin relaxation times due to the exchange interaction by magnetic impurities, are much longer when the Fermi level is inside the spin split region of the valence band. In contrast to the spin relaxation, we find that the dependence of Kondo temperature $T_K$ on the doping is not strongly affected by the spin-orbit induced splitting, although only one of the spin species are present at each valley. This result, which is obtained u…
Optical spectra of two-dimensional transition-metal dichalcogenides (TMDC) are influenced by complex multi-particle excitonic states. Their theoretical analysis requires solving the many-body problem, which in most cases, is prohibitively complicated. In this work, we calculate the optical spectra by exact diagonalization of the three-particle Hamiltonian within the Tamm-Dancoff approximation where the doping effects are accounted for via the Pauli blocking mechanism, modelled by a discretized mesh in the momentum space. The single-particle basis is extracted from the {\it ab initio} calculati…
Emergent magnetism, heavy electrons and pressure-induced reentrant superconductivity in the iron substituted 4d transition-metal sulfides
Zhejiang University of Technology（浙江工业大学）；Fudan University（复旦大学）；Qufu Normal University（曲阜师范大学）；Nanjing University of Posts and Telecommunications（南京邮电大学）；Suzhou University of Technology（苏州科技大学）；Hangzhou Dianzi University（杭州电子科技大学）；National Taiwan Normal University（台湾师范大学）；Academia Sinica（中央研究院）；Zhejiang University（浙江大学）；Ningbo University（宁波大学）；Hangzhou Normal University（杭州师范大学）；Shanghai Jiao Tong University（上海交通大学）
Moiré super-potentials in two-dimensional materials allow unprecedented control of the ratio between kinetic and interaction energy. By this, they pave the way to study a wide variety of strongly correlated physics under a new light. In particular, the transition metal dichalcogenides (TMDs) are promising candidate "quantum simulators" of the Hubbard model on a triangular lattice. Indeed, Mott and generalized Wigner crystals have been observed in such devices. Here we theoretically propose to extend this model into the multi-orbital regime by focusing on electron doped systems at filling highe…
Two-dimensional transition metal trichalcogenides (TMTC's) feature covalently bonded metal-chalcogen layers separated by the van der Waals (vdW) gap. Similar to transition metal dichalcogenides (TMDCs), TMTCs often host charge density waves (CDWs) and superconductivity but unlike TMDCs atomic chains in the crystal structure give rise to quasi one-dimensional (quasi 1D) conduction. ZrTe$_3$ features CDW below $T_{\textrm{CDW}}$ = 63 K and filamentary superconductivity below 2 K that can be enhanced by pressure or chemical substitution. Here we report the presence of mixed valent Zr$^{2+}$ and Z…
We report on the investigation of vibrational and electronic properties of the Pb doped dichalcogenide PbxTaSe2 using Raman scattering experiments. We observe a marked variation of the main vibrational modes with Pb concentration x. The concentration dependence of the vibrational modes resembles the dependence of the vibrational modes in TaSe2 on the number of crystallographic layers along the c axis direction [1]. The temperature and polarization dependence of Raman spectra of PbxTaSe2 revealed additional broad modes in the low frequency regime which are discussed in context of remnant charge…
I consider a theoretical description of recent experiments on doping the spin-Peierls compound CuGeO$_3$ and the Haldane gap compounds PbNi$_2$V$_2$O$_8$ and Y$_2$BaNiO$_5$. The effective theory is the one of randomly distributed spin-$1/2$ moments interacting with an exchange decaying exponentially with distance. The model has two phases in the (doping, interchain coupling) plane: (i) A Néel ordered phase at small doping; (ii) A quantum disordered phase at larger doping and small interchain interactions. The spin-Peierls compound CuGeO$_3$ and the Haldane gap Nickel oxides PbNi$_2$V$_2$O$_8$ …
An attempt is made to resolve the controversy related to the low temperature phase (ground state) of the low-doped ferromagnetic (FM)- insulator(I) manganite through bulk magnetic measurements on La${_{0.9}}$Sr$_{0.1}$MnO${_3}$ sample. It is shown that the FM phase, formed out of well defined transition in the low-doped system, becomes inhomogeneous with decrease in temperature. This inhomogeniety is considered to be an outcome of the formation of orbital domain state of e$_g$-electrons having hole rich (metallic) walls separating the hole deficient (insulating) regions. The resulting complexi…
The recent epitaxial growth of 1T-phase of PtSe2 monolayer (ML) has opened a possibility for its novel applications, in particular for spintronics device. However, in contrast to 2H-phase of transition-metal dichalcogenides (TMDs), the absence of spin splitting in the PtSe2 ML may limit the functionality for spintronics application. Through fully-relativistic density-functional theory calculations, we show that large spin splitting can be induced in the PtSe2 ML by introducing a substitutional halogen impurity. Depending on the atomic number (Z) of the halogen dopants, we observe an enhancemen…
We have performed extensive zero field muSR experiments on pure YBa2Cu3O6+y and diluted Y-rare-earth substituted Y0.92Eu0.08Ba2Cu3O6+y and Y0.925Nd0.075Ba2Cu3O6+y at light hole-doping. A common magnetic behavior is detected for all the three families, demonstrating negligible effects of the isovalent Y-substituent disorder. Two distinct regimes are identified, separated by a crossover, whose origin is attributed to the concurrent thermal activation of spin and charge degrees of freedom: a thermally activated and a re-entrant quenched-hole antiferromagnetic regime. The peculiar temperature and …
Ultrafast Electronic Structure Engineering in 1$T$-TaS$_2$: Role of Doping and Amplitude Mode Dynamics
University of Duisburg-Essen（杜伊斯堡-埃森大学）；University of Fribourg（弗里堡大学）；University of Hamburg（汉堡大学）；University of Geneva（日内瓦大学）；Kiel University（基尔大学）；Max Planck Institute for Chemical Physics of Solids（马克斯·普朗克固体化学物理研究所）；Aarhus University（奥胡斯大学）；Deutsches Elektronen-Synchrotron DESY（德国电子同步辐射中心）
Two-dimensional (2D) transition-metal dichalcogenide (TMDs) MoTe2 has attracted much attention due to its predicted Weyl semimetal (WSM) state and a quantum spin Hall insulator in bulk and monolayer form, respectively. We find that the superconductivity in MoTe2 single crystal can be much enhanced by the partial substitution of the Te ions by the S ones. The maximum of the superconducting temperature TC of MoTe1.8S0.2 single crystal is about 1.3 K. Compared with the parent MoTe2 single crystal (TC=0.1 K), nearly 13-fold in TC is improved in MoTe1.8S0.2 one. The superconductivity has been inves…
We report Eu-local-spin magnetism and Ni-doping-induced superconductivity (SC) in a 112-type ferroarsenide system Eu(Fe$_{1-x}$Ni$_{x}$)As$_2$. The non-doped EuFeAs$_2$ exhibits two primary magnetic transitions at $\sim$100 and $\sim$ 40 K, probably associated with a spin-density-wave (SDW) transition and an antiferromagnetic ordering in the Fe and Eu sublattices, respectively. Two additional successive transitions possibly related to Eu-spin modulations appear at 15.5 and 6.5 K. For the Ni-doped sample with $x$ = 0.04, the SDW transition disappears, and SC emerges at $T_\mathrm{c}$ = 17.5 K. …
The electronic structure of epitaxial single-layer MoS$_2$ on Au(111) is investigated by angle-resolved photoemission spectroscopy. Pristine and potassium-doped layers are studied in order to gain access to the conduction band. The potassium-doped layer is found to have a (1.39$\pm$0.05)~eV direct band gap at $\bar{K}$ with the valence band top at $\barΓ$ having a significantly higher binding energy than at $\bar{K}$. The moiré superstructure of the epitaxial system does not lead to the presence of observable replica bands or minigaps. The degeneracy of the upper valence band at $\bar{K}$ is f…
Recent realization of well-controlled quantum simulators of the triangular-lattice Fermi-Hubbard model, including the triangular optical lattices loaded with ultracold Fermions and the heterostructures of the transition-metal dichalcogenides, as well as the more advanced techniques to probe them, pave the way for studying frustrated Fermi-Hubbard physics. Here, we theoretically predict asymmetric photoemission and tunneling spectroscopies for a lightly hole-doped and electron-doped triangular Mott antiferromagnet, and reveal two distinct types of magnetic polarons: a \emph{lightly} renormalize…
The development of spin glass like state in a geometrically frustrated (GF) magnet is a matter of great debate. We investigated the effect of magnetic (Mn) and nonmagnetic (Ga) doping at the Cr site of the layered GF antiferromagnetic compound LiCrO2. 10% Ga doping at the Cr site does not invoke any metastability typical of a glassy magnetic state. However, similar amount of Mn doping certainly drives the system to a spin glass state which is particularly evident from the relaxation, magnetic memory and heat capacity studies. The onset of glassy state in 10% Mn doped sample is of reentrant typ…
