We study mechanisms of control of charge state and concentration of different point defects in doped insulating crystals. The approach is based on the density functional theory calculations. We apply it to the problem of obtaining of Ti-doped sapphire crystals with high figure-of-merit (FOM). The FOM of a given sample is defined as the ratio of the coefficient of absorption at the pump frequency to the coefficient of absorption at the working frequency of Ti:sapphire laser. It is believed that FOM is proportional to the ratio of the concentration of isolated Ti$^{3+}$ ions to the concentration of Ti$^{3+}$-Ti$^{4+}$ pairs. We find that generally this ratio is in inverse proportion to the concentration of Ti$^{4+}$ isolated substitutional defects with the coefficient of proportionality that depends on the temperature at which the thermodynamically equilibrium concentration of defects is reached. We argue that in certain cases the inverse proportion between concentrations of Ti$^{3+}$-Ti$^{4+}$ and Ti$^{4+}$ may be violated. We show that codopants that form positively (negatively) charged defects may decrease (increase) the concentration of positively charged defects formed by the main dopants. To evaluate the effect of codoping it is important to take into account not only isolated defects but defect complexes formed by codopants, as well. In particular, we show that codoping of Ti:sapphire with nitrogen results in an essential increase of the concentration of Ti$^{4+}$ and in a decrease of the FOM, and, consequently, growth or annealing in the presence of nitrogen or its compounds is unfavorable for producing Ti:sapphire laser crystals. The approach developed can be used for determining appropriate growth and annealing conditions for obtaining doped crystals with the required characteristics.
The development of a new era of quantum devices requires an understanding of how paramagnetic dopants or impurity spins behave in crystal hosts. Here, we describe a new spectroscopic technique which uses traditional Electron Spin Resonance (ESR) combined with the measurement of a large population of electromagnetic Whispering Gallery (WG) modes. This allows the characterization of the physical parameters of paramagnetic impurity ions in the crystal at low temperatures. We present measurements of two ultra-high purity sapphires cooled to 20 mK in temperature, and determine the concentration of …
The effect of additional doping of charge impurities was investigated in a ferromagnetic semiconductor Zn$_{1-x}$Cr$_{x}$Te. It was found that the doping of iodine, which is expected to act as an n-type dopant in ZnTe, brought about a drastic enhancement of the ferromagnetism in Zn$_{1-x}$Cr$_{x}$Te while the grown films remained electrically insulating. In particular, at a fixed Cr composition of x = 0.05, the ferromagnetic transition temperature Tc increased up to 300K at maximum due to the iodine doping from Tc = 30K of the undoped counterpart, while the ferromagnetism disappeared due to th…
We report room temperature long-distance spin transport of magnons in antiferromagnetic thin film hematite doped with Zn. The additional dopants significantly alter the magnetic anisotropies, resulting in a complex equilibrium spin structure that is capable of efficiently transporting spin angular momentum at room temperature without the need for a well-defined, pure easy-axis or easy-plane anisotropy. We find intrinsic magnon spin-diffusion lengths of up to 1.5 μm, and magnetic domain governed decay lengths of 175 nm for the low frequency magnons, through electrical transport measurements dem…
Versatile features of impurity doping effects on perovskite manganites, $R_{0.6}$Sr$_{0.4}$MnO$_{3}$, have been investigated with varying the doing species as well as the $R$-dependent one-electron bandwidth. In ferromagnetic-metallic manganites ($R$=La, Nd, and Sm), a few percent of Fe substitution dramatically decreases the ferromagnetic transition temperature, leading to a spin glass insulating state with short-range charge-orbital correlation. For each $R$ species, the phase diagram as a function of Fe concentration is closely similar to that for $R_{0.6}$Sr$_{0.4}$MnO$_{3}$ obtained by de…
We observe an insulator-to-metal (I-M) transition in crystalline silicon doped with sulfur to non- equilibrium concentrations using ion implantation followed by pulsed laser melting and rapid resolidification. This I-M transition is due to a dopant known to produce only deep levels at equilibrium concentrations. Temperature-dependent conductivity and Hall effect measurements for temperatures T > 1.7 K both indicate that a transition from insulating to metallic conduction occurs at a sulfur concentration between 1.8 and 4.3 x 10^20 cm-3. Conduction in insulating samples is consistent with varia…
PtSe2 is attracting considerable attention as a high mobility two-dimensional material with envisionned applications in microelectronics, photodetection and spintronics. The growth of high quality PtSe2 on insulating substrates with wafer-scale uniformity is a prerequisite for electronic transport investigations and practical use in devices. Here, we report the growth of highly oriented few-layers PtSe2 on ZnO(0001) by molecular beam epitaxy. The crystalline structure of the films is characterized with electron and X-ray diffraction, atomic force microscopy and transmission electron microscopy…
We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic properties of doped Bi2Se3 are studied using first-principles calculations within density functional theory. Our results show that Bi substitutional sites are energetically more favorable than interstitial sites for single impurities. Detailed electronic structure analysis reveals that Cr and Fe doped materials are still insulating in the bulk but the intrinsic ba…
Acoustic and Optical Phonon Frequencies and Acoustic Phonon Velocities in Silicon-Doped Aluminum Nitride Thin Films
University of California, Los Angeles（加州大学洛杉矶分校）；California NanoSystems Institute, University of California, Los Angeles（加州大学洛杉矶分校加利福尼亚纳米系统研究所）；Arizona State University（亚利桑那州立大学）；Auburn University（奥本大学）
A two-step doping process, magnetic followed by charge or vice versa, is required to produce insulating massive surface states in topological insulators for many physics and device applications. Using first-principles calculations, we demonstrate here simultaneous magnetic and hole doping achieved with a single dopant, carbon, in Bi2Se3. Carbon substitution for Se (CSe) results in an opening of a sizable surface Dirac gap (53-85 meV), while the Fermi level (EF) remains inside the bulk gap and close to the Dirac point at moderate doping concentrations. The strong localization of 2p states of CS…
Several doped semiconductors, in contrast to heavily-doped silicon and germanium, host extremely mobile carriers, which give rise to quantum oscillations detectable in relatively low magnetic fields. The small Fermi energy in these dilute metals quantifies the depth of the Fermi sea. When the carrier density exceeds a threshold, accessible thanks to the long Bohr radius of the parent insulator, the local seafloor is carved by distant dopants. In such conditions, with a random distribution of dopants, the probability of finding an island or a trench depends on on the effective Bohr radius, a$_{…
The realization of long range and insulating ferromagnetic states in topological insulator (TI) has been a pressing issue since its discovery. Only recently, such state was achieved in Cr-doped Bi2-xSbxTe3, leading to the discovery of quantum anomalous Hall effect (QAHE). However, the effect is only observed at extremely low temperatures mainly due to the limited magnetism. To fully understand the mechanism of the ferromagnetic ordering whereby improving the ferromagnetism, we investigated 4f transition metal-doped Bi2Se3, using density-functional-theory approaches. We found that Eu and Sm pre…
The newly-discovered three-dimensional strong topological insulators (STIs) exhibit topologically-protected Dirac surface states. While the STI surface state has been studied spectroscopically by e.g. photoemission and scanned probes, transport experiments have failed to demonstrate the most fundamental signature of the STI: ambipolar metallic electronic transport in the topological surface of an insulating bulk. Here we show that the surfaces of thin (<10 nm), low-doped Bi2Se3 (\approx10^17/cm3) crystals are strongly electrostatically coupled, and a gate electrode can completely remove bulk c…
Acceptor and compensating donor doping of single crystalline SnO (001) films grown by molecular beam epitaxy and its perspectives for optoelectronics and gas-sensing
