Pub Date : 2024-09-11DOI: 10.1134/S0030400X2403007X
N. A. Fominykh, N. V. Kryzhanovskaya, K. A. Ivanov, S. D. Komarov, E. I. Moiseev, A. M. Nadtochiy, Yu. A. Guseva, M. M. Kulagina, S. A. Mintairov, N. A. Kalyuzhnyy, R. A. Khabibullin, R. R. Galiev, A. Yu. Pavlov, K. N. Tomosh, I. S. Makhov, M. V. Maximov, A. E. Zhukov
The laser generation characteristics of microdisc lasers with optically coupled waveguide operating in continuous wave mode at elevated temperatures are investigated. Laser generation and waveguide effect at temperatures up to 92.5°C were demonstrated. The measured characteristic temperature of microlasers was 65 K in the range of 25–92.5°C.
{"title":"Investigation of High-Temperature Generation of Microdisc Lasers with Optically Coupled Waveguide","authors":"N. A. Fominykh, N. V. Kryzhanovskaya, K. A. Ivanov, S. D. Komarov, E. I. Moiseev, A. M. Nadtochiy, Yu. A. Guseva, M. M. Kulagina, S. A. Mintairov, N. A. Kalyuzhnyy, R. A. Khabibullin, R. R. Galiev, A. Yu. Pavlov, K. N. Tomosh, I. S. Makhov, M. V. Maximov, A. E. Zhukov","doi":"10.1134/S0030400X2403007X","DOIUrl":"10.1134/S0030400X2403007X","url":null,"abstract":"<p>The laser generation characteristics of microdisc lasers with optically coupled waveguide operating in continuous wave mode at elevated temperatures are investigated. Laser generation and waveguide effect at temperatures up to 92.5°C were demonstrated. The measured characteristic temperature of microlasers was 65 K in the range of 25–92.5°C.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"244 - 247"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24030172
E. A. Stepanov, G. D. Ivanov, A. N. Zhdanov, A. A. Voronin, A. S. Shvedov, I. V. Savitsky, A. A. Lanin, A. B. Fedotov
The paper presents a technique for broadband two-dimensional infrared spectroscopy with signal detection in visible range by nonlinear chirped-pulse upconversion. This approach helps to avoid direct measurement of the mid-infrared signal that requires cryogenic technology, and instead uses low-cost high-sensitivity multichannel silicon linear arrays. This leads to a reduction by two orders of magnitude of the measurement time of a single two-dimensional spectrum, which makes it possible to observe the fast dynamics of complex molecular compounds. The use of a quasi-phase-cycling achieved by sub-cycle delay modulation suppresses scattering background by almost two orders of magnitude and increases the measurement speed twice compared to optical chopping. Numerical simulation using the density matrix formalism and analysis of its evolution based on the solution of the Bloch–Redfield equation effectively reproduces the features of the two-dimensional infrared spectrum of inorganic octacarbonyl dicobalt compound.
{"title":"Broadband Two-Dimensional Infrared Spectroscopy with Signal Detection in Visible Range by Nonlinear Chirped-Pulse Upconversion","authors":"E. A. Stepanov, G. D. Ivanov, A. N. Zhdanov, A. A. Voronin, A. S. Shvedov, I. V. Savitsky, A. A. Lanin, A. B. Fedotov","doi":"10.1134/S0030400X24030172","DOIUrl":"10.1134/S0030400X24030172","url":null,"abstract":"<p>The paper presents a technique for broadband two-dimensional infrared spectroscopy with signal detection in visible range by nonlinear chirped-pulse upconversion. This approach helps to avoid direct measurement of the mid-infrared signal that requires cryogenic technology, and instead uses low-cost high-sensitivity multichannel silicon linear arrays. This leads to a reduction by two orders of magnitude of the measurement time of a single two-dimensional spectrum, which makes it possible to observe the fast dynamics of complex molecular compounds. The use of a quasi-phase-cycling achieved by sub-cycle delay modulation suppresses scattering background by almost two orders of magnitude and increases the measurement speed twice compared to optical chopping. Numerical simulation using the density matrix formalism and analysis of its evolution based on the solution of the Bloch–Redfield equation effectively reproduces the features of the two-dimensional infrared spectrum of inorganic octacarbonyl dicobalt compound.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"296 - 306"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24040064
A. R. Gazizov, M. Kh. Salakhov
Observation of molecular optomechanical effects is complicated by the need to localize electromagnetic energy in metal gaps about 1 nm in size. We propose to use a nanocavity with an epsilon-near-zero medium so that the conditions required for optomechanical coupling are less stringent. In this work, we simulate the enhancement of Raman scattering depending on the permittivity of the material and the polarization of the near field of the nanoparticle. It is shown that when the real part of dielectric permittivity close to zero, Raman scattering demonstrates an additional enhancement.
{"title":"Tip-Enhanced Raman Scattering in Epsilon-Near-Zero Nanocavity","authors":"A. R. Gazizov, M. Kh. Salakhov","doi":"10.1134/S0030400X24040064","DOIUrl":"10.1134/S0030400X24040064","url":null,"abstract":"<p>Observation of molecular optomechanical effects is complicated by the need to localize electromagnetic energy in metal gaps about 1 nm in size. We propose to use a nanocavity with an epsilon-near-zero medium so that the conditions required for optomechanical coupling are less stringent. In this work, we simulate the enhancement of Raman scattering depending on the permittivity of the material and the polarization of the near field of the nanoparticle. It is shown that when the real part of dielectric permittivity close to zero, Raman scattering demonstrates an additional enhancement.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"353 - 356"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24030111
S. V. Kozlov, A. V. Stolyarov, E. A. Pazyuk
The effect of the electron-rotational interaction induced by an external magnetic field on the values of Lande g-factors is systematically investigated within the quantum mechanical model of coupled radial Schredinger equations for locally and regularly perturbed electronic-vibrational-rotational (rovibronic) levels of nonadiabatically coupled X2Σ+, A2Π and B2Σ+ states of the CN radical, whose isotopomers are of persistent astronomical interest due to their wide use in optical diagnostics of various regions of the interstellar and near-stellar medium.
摘要 在耦合径向施雷丁格方程的量子力学模型中,系统地研究了外磁场诱导的电子旋转相互作用对非辐射耦合 X 2Σ+ 的兰德 g 因子值的影响、由于这些同素异形体广泛用于星际和近星介质各区域的光学诊断,因此在天文学上一直很受关注。
{"title":"Influence of Non-Adiabatic Interactions on the Lande g-Factors of the X 2Σ+ ~ A 2Π ~ B 2Σ+ Complex of the CN Radical","authors":"S. V. Kozlov, A. V. Stolyarov, E. A. Pazyuk","doi":"10.1134/S0030400X24030111","DOIUrl":"10.1134/S0030400X24030111","url":null,"abstract":"<p>The effect of the electron-rotational interaction induced by an external magnetic field on the values of Lande <i>g</i>-factors is systematically investigated within the quantum mechanical model of coupled radial Schredinger equations for locally and regularly perturbed electronic-vibrational-rotational (rovibronic) levels of nonadiabatically coupled <i>X</i> <sup>2</sup>Σ<sup>+</sup>, <i>A</i><sup>2</sup>Π and <i>B</i><sup>2</sup>Σ<sup>+</sup> states of the CN radical, whose isotopomers are of persistent astronomical interest due to their wide use in optical diagnostics of various regions of the interstellar and near-stellar medium.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"262 - 269"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24030123
I. V. Kuznetsov, A. S. Perin
In this work we present results of numerical modeling of a ZGDC polarization splitter based on SiN thin films. The magnitude of the interference is –15 dB for the TM-mode and –10.4 dB for TE-mode. The transmission coefficient is 43%.
{"title":"Modeling of ZGDC Polarization Splitter on SiN","authors":"I. V. Kuznetsov, A. S. Perin","doi":"10.1134/S0030400X24030123","DOIUrl":"10.1134/S0030400X24030123","url":null,"abstract":"<p>In this work we present results of numerical modeling of a ZGDC polarization splitter based on SiN thin films. The magnitude of the interference is –15 dB for the TM-mode and –10.4 dB for TE-mode. The transmission coefficient is 43%.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"270 - 272"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24040015
E. I. Battalova, S. S. Kharintsev
We introduce a strategy to develop multiple-phase structure of inorganic lead halide perovskite CsPbBr3. The method is based on local optical heating, which allows the creation of strong temperature gradients. Using Raman spectroscopy, it was determined that such gradients induce a distribution of phase transitions within the perovskite crystal. We show that such gradients lead to perovskite multiple-phase structure.
{"title":"Phase-Gradient CsPbBr3 Perovskite Structure","authors":"E. I. Battalova, S. S. Kharintsev","doi":"10.1134/S0030400X24040015","DOIUrl":"10.1134/S0030400X24040015","url":null,"abstract":"<p>We introduce a strategy to develop multiple-phase structure of inorganic lead halide perovskite CsPbBr<sub>3</sub>. The method is based on local optical heating, which allows the creation of strong temperature gradients. Using Raman spectroscopy, it was determined that such gradients induce a distribution of phase transitions within the perovskite crystal. We show that such gradients lead to perovskite multiple-phase structure.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"321 - 324"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24040040
N. K. Dulaev, I. I. Tupitsyn, D. P. Usov, A. M. Ryzhkov, V. M. Shabaev
A non-empirical relativistic calculation of the potential energy curve of the ground X1Σ+ state of the carbon monoxide (CO) molecule in the internuclear distances range RAB ∈ [0.5, 30.0] a.u. is performed. The calculation is carried out by the multireference configuration-interaction method in the basis of the Dirac–Fock–Sturm orbitals. For the entire specified range of distances, multi-electron quantum-electrodynamic corrections to the CO energy are calculated by the method of the model Lamb shift operator. The contributions of the quantum electrodynamic corrections to the value of the equilibrium internuclear distance (R_{{AB}}^{e}), the dissociation energy De and the vibrational constant ωe of the CO molecule are obtained.
摘要 对一氧化碳(CO)分子在核间距 RAB ∈ [0.5, 30.0] a.u. 范围内的基态 X 1Σ+ 的势能曲线进行了非经验相对论计算。计算以 Dirac-Fock-Sturm 轨道为基础,采用多参量构型相互作用方法进行。在整个指定的距离范围内,通过模型 Lamb 移动算子的方法计算了 CO 能量的多电子量子电动力学修正。得到了量子电动力学修正对 CO 分子的平衡核间距 (R_{{AB}}^{e})、解离能 De 和振动常数 ωe 值的贡献。
{"title":"Relativistic Calculations of the Potential Energy Curve and QED-Corrections for the Ground State of the CO Molecule","authors":"N. K. Dulaev, I. I. Tupitsyn, D. P. Usov, A. M. Ryzhkov, V. M. Shabaev","doi":"10.1134/S0030400X24040040","DOIUrl":"10.1134/S0030400X24040040","url":null,"abstract":"<p>A non-empirical relativistic calculation of the potential energy curve of the ground <i>X</i> <sup>1</sup>Σ<sup>+</sup> state of the carbon monoxide (CO) molecule in the internuclear distances range <i>R</i><sub><i>AB</i></sub> ∈ [0.5, 30.0] a.u. is performed. The calculation is carried out by the multireference configuration-interaction method in the basis of the Dirac–Fock–Sturm orbitals. For the entire specified range of distances, multi-electron quantum-electrodynamic corrections to the CO energy are calculated by the method of the model Lamb shift operator. The contributions of the quantum electrodynamic corrections to the value of the equilibrium internuclear distance <span>(R_{{AB}}^{e})</span>, the dissociation energy <i>D</i><sub><i>e</i></sub> and the vibrational constant ω<sub><i>e</i></sub> of the CO molecule are obtained.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"339 - 344"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24040131
E. V. Pronina, M. A. Kremennaya, V. Yu. Lysenko, G. E. Yalovega
The contributions of additional Fe-binding sites and heme iron to the experimental spectrum of urea-influenced hemoglobin were evaluated based on theoretical analysis of X-ray absorption spectra. The theoretical Fe K-edge X-ray absorption spectra were calculated for structural models of the supposed additional Fe binding sites and heme. Linear combination fit of theoretical spectra showed that in treated hemoglobin iron ions are more likely to be in the additional Fe-binding sites, which is surrounded by the following amino acids: cysteine-93, histidine-146, and asparagine-94 (Cys93, His 146, Asp 94).
摘要 根据对 X 射线吸收光谱的理论分析,评估了额外的铁结合位点和血红素铁对尿素影响血红蛋白实验光谱的贡献。根据假定的额外铁结合位点和血红素的结构模型计算了铁 K 边 X 射线吸收光谱。理论光谱的线性组合拟合结果表明,在处理过的血红蛋白中,铁离子更有可能位于额外的铁结合位点,该位点被以下氨基酸包围:半胱氨酸-93、组氨酸-146 和天冬酰胺-94(Cys93、His 146、Asp 94)。
{"title":"Additional Iron Ions Binding Sites in Hemoglobin: XANES Modeling","authors":"E. V. Pronina, M. A. Kremennaya, V. Yu. Lysenko, G. E. Yalovega","doi":"10.1134/S0030400X24040131","DOIUrl":"10.1134/S0030400X24040131","url":null,"abstract":"<p>The contributions of additional Fe-binding sites and heme iron to the experimental spectrum of urea-influenced hemoglobin were evaluated based on theoretical analysis of X-ray absorption spectra. The theoretical Fe <i>K</i>-edge X-ray absorption spectra were calculated for structural models of the supposed additional Fe binding sites and heme. Linear combination fit of theoretical spectra showed that in treated hemoglobin iron ions are more likely to be in the additional Fe-binding sites, which is surrounded by the following amino acids: cysteine-93, histidine-146, and asparagine-94 (Cys93, His 146, Asp 94).</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"399 - 402"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24040076
O. V. Gromova, E. S. Bekhtereva, A. N. Kakaulin, O. N. Ulenikov
A new effective dipole moment model for the (XY2 symmetry) molecule in a doublet electronic state is derived that includes (as special cases) all currently known models of effective dipole moment for such type molecules, and allows, at the same time, to take into account an influence of spin-rotation interactions on the effective dipole moment operator which were not taken into account in the preceding studies.
{"title":"Improved Model of the Effective Dipole Moments and Absolute Ro-Vibrational Line Strengths of the XY2 Asymmetric Top Molecules in the X 2B1 Doublet Electronic States","authors":"O. V. Gromova, E. S. Bekhtereva, A. N. Kakaulin, O. N. Ulenikov","doi":"10.1134/S0030400X24040076","DOIUrl":"10.1134/S0030400X24040076","url":null,"abstract":"<p>A new effective dipole moment model for the (XY<sub>2</sub> symmetry) molecule in a doublet electronic state is derived that includes (as special cases) all currently known models of effective dipole moment for such type molecules, and allows, at the same time, to take into account an influence of spin-rotation interactions on the effective dipole moment operator which were not taken into account in the preceding studies.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"357 - 364"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X2404012X
A. I. Miskevich
A decrease in the gain of the active medium of a nuclear-pumped excimer laser has been experimentally discovered at the B–X- and C–A-transitions of the XeCl* molecule (308, 352 nm), when the Ar‒Xe–CCl4 medium is pumped with mixed gamma-neutron radiation nuclear reactor. The effect is due to the quenching effect of secondary electrons formed in the active medium of an excimer laser under the influence of instantaneous gamma radiation. The effect increases significantly with increasing gamma radiation flux density, and the loss coefficient can reach values of ~10–2–2 × 10–2 cm–1.
{"title":"Generation and Quenching in the XeCl* Excimer Laser Pumped by Mixed Gamma-Neutron Radiation from a Nuclear Reactor","authors":"A. I. Miskevich","doi":"10.1134/S0030400X2404012X","DOIUrl":"10.1134/S0030400X2404012X","url":null,"abstract":"<p>A decrease in the gain of the active medium of a nuclear-pumped excimer laser has been experimentally discovered at the B–X- and C–A-transitions of the XeCl* molecule (308, 352 nm), when the Ar‒Xe–CCl<sub>4</sub> medium is pumped with mixed gamma-neutron radiation nuclear reactor. The effect is due to the quenching effect of secondary electrons formed in the active medium of an excimer laser under the influence of instantaneous gamma radiation. The effect increases significantly with increasing gamma radiation flux density, and the loss coefficient can reach values of ~10<sup>–2</sup>–2 × 10<sup>–2</sup> cm<sup>–1</sup>.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"391 - 398"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142227022","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}