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Register a new userAdaptive modulations of martensites
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Modulated phases occur in numerous functional materials like giant ferroelectrics and magnetic shape memory alloys. To understand the origin of these phases, we review and generalize the concept of adaptive martensite. As a starting point, we investigate the coexistence of austenite, adaptive 14M phase and tetragonal martensite in Ni-Mn-Ga magnetic shape memory alloy epitaxial films. The modulated martensite can be constructed from nanotwinned variants of a tetragonal martensite phase. By combining the concept of adaptive martensite with branching of twin variants, we can explain key features of modulated phases from a microscopic view. This includes phase stability, the sequence of 6M-10M-NM intermartensitic transitions, and magnetocrystalline anisotropy.
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We show how the St.Venant compatibility relations for strain in three dimensions lead to twinning for the cubic to tetragonal transition in martensitic materials within a Ginzburg-Landau model in terms of the six components of the symmetric strain tensor. The compatibility constraints generate an anisotropic long-range interaction in the order parameter (deviatoric strain) components. In contrast to two dimensions, the free energy is characterized by a landscape of competing metastable states. We find a variety of textures, which result from the elastic frustration due to the effects of compatibility. Our results are also applicable to structural phase transitions in improper ferroelastics such as ferroelectrics and magnetoelastics, where strain acts as a secondary order parameter.
We investigate relative stability, structural properties and electronic structure of various modulated martensites of the magnetic shape memory alloy Mn$_{2}$NiGa by means of density functional theory. We observe that the instability in the high-temperature cubic structure first drives the system to a structure where modulation shuffles with a period of six atomic planes are taken into account. The driving mechanism for this instability is found to be the nesting of the minority band Fermi surface, in a similar way as established for the prototype system Ni$_{2}$MnGa. In agreement with experiments, we find 14M modulated structures with orthorhombic and monoclinic symmetries having energies lower than other modulated phases with same symmetry. In addition, we also find energetically favourable 10M modulated structures which have not been observed experimentally for this system yet. The relative stability of various martensites is explained in terms of changes in the electronic structures near the Fermi level, affected mostly by the hybridisation of Ni and Mn states. Our results indicate that the maximum achievable magnetic field-induced strain in Mn$_{2}$NiGa would be larger than in Ni$_{2}$MnGa. However, the energy costs for creating nanoscale adaptive twin boundaries are found to be one order of magnitude higher than that in Ni$_{2}$MnGa.
The exceptional electronic properties of monoatomic thin graphene sheets triggered numerous original transport concepts, pushing quantum physics into the realm of device technology for electronics, optoelectronics and thermoelectrics. At the conceptual pivot point is the particular twodimensional massless Dirac fermion character of graphene charge carriers and its volitional modification by intrinsic or extrinsic means. Here, interfaces between different electronic and structural graphene modifications promise exciting physics and functionality, in particular when fabricated with atomic precision. In this study we show that quasiperiodic modulations of doping levels can be imprinted down to the nanoscale in monolayer graphene sheets. Vicinal copper surfaces allow to alternate graphene carrier densities by several 10^13 carriers per cm^2 along a specific copper high-symmetry direction. The process is triggered by a self-assembled copper faceting process during high-temperature graphene chemical vapor deposition, which defines interfaces between different graphene doping levels at the atomic level.
The doping and strain effects on the electron transport of monolayer MoS_2 are systematically investigated using the first-principles calculations with Boltzmann transport theory. We estimate the mobility has a maximum 275 cm^2/(Vs) in the low doping level under the strain-free condition. The applying a small strain (3%) can improve the maximum mobility to 1150 cm^2/(Vs) and the strain effect is more significant in the high doping level. We demonstrate that the electric resistance mainly due to the electron transition between K and Q valleys scattered by the M momentum phonons. However, the strain can effectively suppress this type of electron-phonon coupling by changing the energy difference between the K and Q valleys. This sensitivity of mobility to the external strain may direct the improving electron transport of MoS_2.
Neutron diffraction and 7Li-NMR have been applied to determine the multiferroic system LiCu2O2, which has four chains (ribbon chains) of edge-sharing CuO4 square planes in a unit cell. We have confirmed that there are successive magnetic transitions at TN1=24.5 K and TN2=22.8 K. In the T region between TN1 and TN2, the quasi one-dimensional spins (S=1/2) of Cu2+ ions within a chain have a collinear and sinusoidally modulated structure with Cu-moments parallel to the c-axis and with the modulation vector along the b-axis. At T < TN2, an ellipsoidal helical spin structure with the incommensurate modulation has been found. Here, we present detailed parameters, describing the modulation amplitudes, helical axis vectors as well as the relative phases of the modulations of four ribbon chains, which can well reproduce both the NMR and neutron results in the two magnetically ordered phases. This finding of the rather precise magnetic structures enables us to discuss the relationship between the magnetic structure and the multiferroic nature of the present system in zero magnetic field, as presented in our companion paper (paper I), and open a way how to understand the reported electric polarization under the finite magnetic field.
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